4053617 -OEChem-04252410342D 63 66 0 0 0 0 0 0 0999 V2000 11.2275 -0.4732 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1713 1.8296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1614 2.6184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2742 -0.5813 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.6544 0.1765 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7275 1.7174 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6773 -2.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2984 -0.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9516 -1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6531 -2.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0099 0.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3789 -3.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9643 -0.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3901 0.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3445 0.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1040 0.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1135 1.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5763 -0.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3266 -0.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5740 -0.7595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2937 2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7275 1.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3510 0.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1285 -0.0394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8570 3.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3415 1.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8810 -0.7595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1105 0.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8787 -0.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0555 0.3944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0973 -2.9463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2699 -0.1807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6836 -0.7206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5022 -1.6020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3278 -0.8242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4494 -1.4695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6237 -2.2473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6816 -2.8908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2680 -2.3509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2949 0.6466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5171 0.4723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7872 -3.2596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1939 -4.0364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9706 -3.6296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6793 -0.7531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4571 -0.5787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9850 1.0255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2072 0.8512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7900 -0.4285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9826 1.8639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1234 -0.8836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7189 -1.3623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8498 3.0513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7902 2.2565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3692 3.0954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2062 3.9569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3447 3.7939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4725 1.8639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7361 -1.3624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7023 0.7403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3316 -0.8837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 26 1 0 0 0 0 2 16 2 0 0 0 0 3 24 2 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 4 32 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 5 51 1 0 0 0 0 6 18 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 7 33 1 0 0 0 0 8 10 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 11 1 0 0 0 0 9 36 1 0 0 0 0 9 37 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 14 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 15 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 17 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 21 2 0 0 0 0 19 52 1 0 0 0 0 20 22 2 0 0 0 0 20 53 1 0 0 0 0 21 22 1 0 0 0 0 22 54 1 0 0 0 0 23 27 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 28 2 0 0 0 0 26 29 2 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 28 30 1 0 0 0 0 28 60 1 0 0 0 0 29 31 1 0 0 0 0 29 61 1 0 0 0 0 30 31 2 0 0 0 0 30 62 1 0 0 0 0 31 63 1 0 0 0 0 M CHG 1 4 1 M END > 4053617 > 1 > 622 > 3 > 2 > 6 > AAADcfB7MABAAAAAAAAAAAAAAAAAAAAAAAA8YIAABYAAAAABQAAAHgQQAAAADQjB2AQywYPAAAiIAiVSUACCAAAlChAIiJ0IZMgIIDLg1ZGEIQhglgDoyYcciACOEAAAQAAEAQAgAACAAAgCAAAAAAAAAA== > 5-ethyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide > 5-ethyl-N-[3-(4-methyl-1-piperidin-1-iumyl)propyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide > 5-ethyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide > 5-ethyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide > 5-ethyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide > 5-ethyl-6-keto-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]benzo[b][1,4]benzothiazepine-3-carboxamide > InChI=1S/C25H31N3O2S/c1-3-28-21-17-19(24(29)26-13-6-14-27-15-11-18(2)12-16-27)9-10-23(21)31-22-8-5-4-7-20(22)25(28)30/h4-5,7-10,17-18H,3,6,11-16H2,1-2H3,(H,26,29)/p+1 > DCZRFLQTUISHKB-UHFFFAOYSA-O > 4.4 > 438.22152345 > C25H32N3O2S+ > 438.6 > CCN1C2=C(C=CC(=C2)C(=O)NCCC[NH+]3CCC(CC3)C)SC4=CC=CC=C4C1=O > CCN1C2=C(C=CC(=C2)C(=O)NCCC[NH+]3CCC(CC3)C)SC4=CC=CC=C4C1=O > 79.2 > 438.22152345 > 1 > 31 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 17 19 8 17 20 8 18 19 8 18 21 8 20 22 8 21 22 8 25 26 8 25 28 8 26 29 8 28 30 8 29 31 8 30 31 8 $$$$