4301634 -OEChem-03192402592D 56 59 0 0 0 0 0 0 0999 V2000 10.5371 -1.7436 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4809 0.5592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3195 -1.1743 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.9640 -1.0939 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0371 0.4471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6179 -0.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3196 -1.1854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8024 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2739 -1.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0096 -0.7954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6997 -0.4165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6541 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4231 -0.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4136 -0.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8859 -1.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6362 -1.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8836 -2.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6606 -0.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0371 0.4471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4381 -1.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6511 -0.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4201 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1906 -2.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4710 1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1883 -1.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3746 -0.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9077 2.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3306 -2.1743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1871 -0.4658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9220 0.3204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7146 -1.3211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3912 -1.8013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2122 0.8242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3825 0.8150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6841 0.2956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4364 -0.4963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9889 -2.0234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -1.8490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2946 -0.2448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5168 -0.4192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0996 -1.6989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2922 0.5936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4330 -2.1540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0285 -2.6327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7681 1.0057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7821 0.5936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0457 -2.6327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0893 1.3944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6412 -2.1540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5596 -1.0084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9663 -0.2316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1895 0.1751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4200 2.5235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5585 2.6865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3954 1.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 21 1 0 0 0 0 2 12 2 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 3 29 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 42 1 0 0 0 0 5 15 1 0 0 0 0 5 20 1 0 0 0 0 5 46 1 0 0 0 0 6 8 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 9 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 15 17 2 0 0 0 0 16 18 2 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 25 2 3 0 0 0 21 24 1 0 0 0 0 22 23 2 0 0 0 0 22 47 1 0 0 0 0 23 26 1 0 0 0 0 23 27 1 0 0 0 0 24 26 2 0 0 0 0 24 48 1 0 0 0 0 25 28 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 M CHG 1 3 1 M END > 4301634 > 1 > 574 > 3 > 3 > 4 > AAADceB7IABAAAAAAAAAAAAAAAAAAWAAAAAwYAAABYAAAAABQAAAHgQQAAAADAjB2AQywYPAAAiIAiVSUACCAAAlChAIiJ0IZMgIYDLglZGUIQhglgDoyYcciECOEAACQAAEAQAgAASAAAgCAAAAAAAAAA== > 6-ethylidene-8-methyl-N-(2-pyrrolidin-1-ium-1-ylethyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide > 6-ethylidene-8-methyl-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide > 6-ethylidene-8-methyl-N-(2-pyrrolidin-1-ium-1-ylethyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide > 6-ethylidene-8-methyl-N-(2-pyrrolidin-1-ium-1-ylethyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide > 6-ethylidene-8-methyl-N-(2-pyrrolidin-1-ium-1-ylethyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide > 6-ethylidene-8-methyl-N-(2-pyrrolidin-1-ium-1-ylethyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide > InChI=1S/C23H27N3OS/c1-3-19-18-14-16(2)6-8-21(18)28-22-9-7-17(15-20(22)25-19)23(27)24-10-13-26-11-4-5-12-26/h3,6-9,14-15,25H,4-5,10-13H2,1-2H3,(H,24,27)/p+1 > QPGLSSAFKKKAAS-UHFFFAOYSA-O > 4.6 > 394.19530870 > C23H28N3OS+ > 394.6 > CC=C1C2=C(C=CC(=C2)C)SC3=C(N1)C=C(C=C3)C(=O)NCC[NH+]4CCCC4 > CC=C1C2=C(C=CC(=C2)C)SC3=C(N1)C=C(C=C3)C(=O)NCC[NH+]4CCCC4 > 70.9 > 394.19530870 > 1 > 28 > 0 > 0 > 0 > 1 > 0 > 1 > -1 > 1 5 255 > 13 14 8 13 16 8 14 15 8 15 17 8 16 18 8 17 18 8 19 21 8 19 22 8 20 25 1 21 24 8 22 23 8 23 26 8 24 26 8 $$$$