5-ethyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 5-ethyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-ethyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-ethyl-N-[3-(4-methyl-1-piperidin-1-iumyl)propyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-ethyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-ethyl-6-keto-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H32N3O2S+ MolecularWeight: 438.60548

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C(=O)NCCC[NH+]3CCC(CC3)C)SC4=CC=CC=C4C1=O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)C(=O)NCCC[NH+]3CCC(CC3)C)SC4=CC=CC=C4C1=O

InChI

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