5850 -OEChem-10051719293D 49 50 0 0 0 0 0 0 0999 V2000 -3.7234 -0.4992 -0.0593 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7193 0.4886 -0.0549 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.0110 -0.6514 0.7763 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9253 0.7695 -0.9132 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9609 -0.7608 -0.9268 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9987 0.6651 0.7885 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5167 -0.3424 0.8533 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5140 0.2837 0.8499 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9993 0.3039 0.1368 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1252 1.4602 -0.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1778 -1.4261 -0.3148 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0165 -0.2518 0.1392 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2683 -0.1618 0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 0.1720 0.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0187 -0.0460 0.8781 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5204 -1.7120 -0.9543 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4851 1.7084 -0.9326 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7871 -0.3491 1.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3388 -1.6954 0.7653 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1423 0.4566 -1.9408 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0612 1.4310 -0.9009 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1717 -0.4266 -1.9489 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1022 -1.4327 -0.9243 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7790 0.3397 1.8117 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2962 1.7182 0.7949 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6905 0.5335 1.4894 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4569 -1.2382 1.4824 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4678 1.1387 1.5347 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6881 -0.6284 1.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4762 -0.1644 -0.7324 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7855 0.6105 0.8324 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8206 2.0574 0.5715 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6297 2.1224 -1.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7037 -2.0631 -1.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8867 -2.0446 0.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8084 -0.5461 0.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4832 0.2429 -0.7208 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3004 0.7219 -0.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1037 -1.0234 -0.6516 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2858 -0.6346 -0.7084 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0626 1.0969 -0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1335 0.7903 1.5785 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0988 -0.9574 1.4767 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7916 -1.4821 -1.7354 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2023 -2.5577 -0.3378 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4783 -1.9416 -1.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7530 1.4714 -1.7089 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1549 2.5391 -0.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4342 1.9634 -1.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 7 1 0 0 0 0 1 16 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 8 1 0 0 0 0 2 17 1 0 0 0 0 3 9 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 10 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 11 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 12 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 13 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 14 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 15 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 M CHG 2 1 1 2 1 M END > DB01090 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XSBSKEQEUFOSDD-UHFFFAOYSA-N/SDF?record_type=3d > C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1 > InChI=1S/C15H32N2/c1-16(12-6-7-13-16)10-4-3-5-11-17(2)14-8-9-15-17/h3-15H2,1-2H3/q+2 > XSBSKEQEUFOSDD-UHFFFAOYSA-N > C15H32N2 > 240.428 > 240.256549034 > 0 > 49 > 2.0 > 31.35545016829585 > 1 > 0 > 2 > 0 > 1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium > -2.26 > -6.28237323661016 > -7.43 > 0 > 2 > 2 > 2 > 0.0 > 99.0274 > 6 > 1 > 1.16e-05 g/l > tetrahydrofolic acid > 1 $$$$