3116 -OEChem-10061700283D 62 63 0 0 0 0 0 0 0999 V2000 -2.5916 -0.0678 -0.0176 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9104 0.8349 0.5193 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8343 -0.3280 -0.5297 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0539 1.1093 -1.7750 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8254 1.7828 -0.6950 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7300 2.9696 -0.3844 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2133 -3.6638 -0.4522 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5172 -2.4059 0.0974 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2900 4.1034 1.0333 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0254 3.3360 0.8789 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5332 3.2304 0.8265 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2312 4.2583 1.0888 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6659 2.6215 -0.5663 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5607 3.5274 0.9292 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0646 2.4305 -1.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7065 3.9089 -1.5095 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8456 0.3971 -0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9112 1.5956 -0.6536 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5523 -1.4374 0.2641 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0866 -0.5372 0.3123 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2473 -2.3538 -0.7321 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3591 -1.0904 0.2977 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8187 -1.9059 1.5471 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9905 -1.3719 0.1166 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7761 -3.2720 1.8093 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1844 -2.7345 -0.0889 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4657 -4.1420 0.7738 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4797 -3.2321 -0.0936 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8914 -4.6042 -1.5218 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8685 -2.9587 0.0853 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3161 4.9363 0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3361 4.5436 2.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0795 2.8953 -0.1208 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0593 2.5113 1.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5325 2.4294 1.5769 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4200 3.8406 1.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1877 4.6807 2.1005 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1729 5.1088 0.3995 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7122 3.4124 -1.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7827 2.0202 -0.8002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6455 2.7605 1.7047 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3855 4.2299 1.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9041 2.8519 -2.1316 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8967 1.7235 -1.1794 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3152 3.2304 -0.4329 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 4.7708 -1.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0795 3.4388 -2.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6775 4.2335 -1.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0340 -2.0572 -1.7522 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2547 -0.4969 0.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0601 -1.2107 2.3462 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9828 -0.9656 0.1232 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9832 -3.6500 2.8047 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3379 -3.3951 -0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4223 -5.2154 0.9133 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6961 -4.2814 -0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8250 -4.8616 -2.0288 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 -4.1367 -2.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 -5.4981 -1.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2403 -2.9016 -0.9411 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5067 -2.3799 0.7587 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8451 -3.9967 0.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 19 1 0 0 0 0 2 18 1 0 0 0 0 2 20 1 0 0 0 0 3 17 2 0 0 0 0 4 18 2 0 0 0 0 5 13 1 0 0 0 0 5 15 1 0 0 0 0 5 17 1 0 0 0 0 6 14 1 0 0 0 0 6 16 1 0 0 0 0 6 18 1 0 0 0 0 7 21 1 0 0 0 0 7 27 2 0 0 0 0 7 29 1 0 0 0 0 8 22 1 0 0 0 0 8 28 2 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 14 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 19 21 2 0 0 0 0 19 23 1 0 0 0 0 20 22 2 0 0 0 0 20 24 1 0 0 0 0 21 49 1 0 0 0 0 22 50 1 0 0 0 0 23 25 2 0 0 0 0 23 51 1 0 0 0 0 24 26 2 0 0 0 0 24 52 1 0 0 0 0 25 27 1 0 0 0 0 25 53 1 0 0 0 0 26 28 1 0 0 0 0 26 54 1 0 0 0 0 27 55 1 0 0 0 0 28 56 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 M CHG 2 7 1 8 1 M END > DB13694 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/AHZBEVXBKNYXPU-UHFFFAOYSA-N/SDF?record_type=3d > CN(CCCCCCN(C)C(=O)OC1=C[N+](C)=CC=C1)C(=O)OC1=C[N+](C)=CC=C1 > InChI=1S/C22H32N4O4/c1-23-13-9-11-19(17-23)29-21(27)25(3)15-7-5-6-8-16-26(4)22(28)30-20-12-10-14-24(2)18-20/h9-14,17-18H,5-8,15-16H2,1-4H3/q+2 > AHZBEVXBKNYXPU-UHFFFAOYSA-N > C22H32N4O4 > 416.521 > 416.241258367 > 2 > 62 > 47.470511252210976 > 1 > 0 > 2 > 0 > 1-methyl-3-{[methyl({6-[methyl({[(1-methylpyridin-1-ium-3-yl)oxy]carbonyl})amino]hexyl})carbamoyl]oxy}pyridin-1-ium > -2.72 > -5.63852000094349 > -6.02 > 0 > 2 > 2 > 19.827389178785662 > 19.22532918745717 > 66.84 > 116.06099999999999 > 11 > 1 > 4.62e-04 g/l > 1-methyl-3-{[methyl({6-[methyl({[(1-methylpyridin-1-ium-3-yl)oxy]carbonyl})amino]hexyl})carbamoyl]oxy}pyridin-1-ium > 0 $$$$