4-oxidanylidene-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: 4-oxidanylidene-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: 4-oxo-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: 4-oxo-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: 4-oxo-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C22H32N3O2S+ MolecularWeight: 402.57338

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)[NH+]4CCCCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)[NH+]4CCCCC4

InChI

InChI=1S/C22H31N3O2S/c26-20-9-14-28-19-8-7-17(15-18(19)24-20)21(27)23-16-22(10-3-1-4-11-22)25-12-5-2-6-13-25/h7-8,15H,1-6,9-14,16H2,(H,23,27)(H,24,26)/p+1