8756 -OEChem-10061700303D 66 66 0 0 0 0 0 0 0999 V2000 4.9338 1.6329 -0.0520 N 0 3 0 0 0 0 0 0 0 0 0 0 3.8310 0.7710 -0.5369 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4938 1.2393 0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2828 1.1691 -0.6214 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2734 0.3963 -0.3616 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7159 3.0927 -0.4771 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0265 1.5935 1.4806 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0455 0.9470 0.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2351 0.1188 -0.3057 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5887 0.6439 0.1824 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6111 -0.2524 -0.2714 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8197 -0.1314 -0.2972 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1366 0.4017 0.2726 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3283 -0.4156 -0.2334 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6777 0.0900 0.2857 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8743 -0.6813 -0.2782 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3170 -0.5378 0.8975 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2102 -1.2890 -1.1145 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1930 -0.1420 0.2827 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6221 -1.8593 1.2231 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5152 -2.6105 -0.7887 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4223 -0.8983 -0.2256 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2212 -2.8956 0.3801 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7330 -0.3830 0.3483 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8234 0.7931 -1.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9933 -0.2561 -0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2778 2.2586 -0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5135 1.2621 1.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0590 1.8513 -0.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2338 1.2980 -1.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4174 -0.6300 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2171 0.3430 -1.4561 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5202 3.1130 -1.5531 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8866 3.5262 0.0866 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6283 3.6529 -0.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9378 0.5600 1.8257 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9804 2.0363 1.7837 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2218 2.1995 1.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1702 1.9883 -0.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 0.9452 1.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2381 0.1039 -1.4027 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1156 -0.9205 0.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6932 1.6909 -0.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5833 0.6486 1.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7056 -1.1857 -0.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8555 -0.0984 -1.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2615 1.4524 -0.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1062 0.3664 1.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3384 -0.3935 -1.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2019 -1.4648 0.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6851 0.0250 1.3808 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7836 1.1519 0.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8809 -0.6046 -1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7755 -1.7443 -0.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6485 0.2574 1.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6669 -1.0828 -2.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2912 0.9190 0.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1687 -0.1974 1.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3225 -1.9616 0.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4630 -0.8305 -1.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1744 -2.0812 2.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2048 -3.4174 -1.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4596 -3.9246 0.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7431 -0.4724 1.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8854 0.6693 0.0884 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5749 -0.9583 -0.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 5 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 11 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 8 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 12 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 17 2 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 15 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 16 1 0 0 0 0 15 51 1 0 0 0 0 15 52 1 0 0 0 0 16 19 1 0 0 0 0 16 53 1 0 0 0 0 16 54 1 0 0 0 0 17 20 1 0 0 0 0 17 55 1 0 0 0 0 18 21 2 0 0 0 0 18 56 1 0 0 0 0 19 22 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 20 23 2 0 0 0 0 20 61 1 0 0 0 0 21 23 1 0 0 0 0 21 62 1 0 0 0 0 22 24 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 63 1 0 0 0 0 24 64 1 0 0 0 0 24 65 1 0 0 0 0 24 66 1 0 0 0 0 M CHG 1 1 1 M END > DB13774 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WNBGYVXHFTYOBY-UHFFFAOYSA-N/SDF?record_type=3d > CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1 > InChI=1S/C23H42N/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23/h15-17,19-20H,4-14,18,21-22H2,1-3H3/q+1 > WNBGYVXHFTYOBY-UHFFFAOYSA-N > C23H42N > 332.595 > 332.331176777 > 0 > 66 > 45.32111359342842 > 1 > 0 > 1 > 1 > benzyldimethyltetradecylazanium > 3.84 > 3.52189163119492 > -8.01 > 0 > 1 > 1 > 18.10976193549863 > 0.0 > 120.39789999999999 > 15 > 1 > 3.57e-06 g/l > benzyldimethyltetradecylazanium > 0 $$$$