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

Systemtic Name: 4-oxidanylidene-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: 4-oxo-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: 4-oxo-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: 4-oxo-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C23H28N3O2S+ MolecularWeight: 410.55232

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C23H27N3O2S/c27-22-10-13-29-21-9-8-17(14-20(21)25-22)23(28)24-15-18-6-2-3-7-19(18)16-26-11-4-1-5-12-26/h2-3,6-9,14H,1,4-5,10-13,15-16H2,(H,24,28)(H,25,27)/p+1