N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[(2R)-2-(2-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C22H25ClN3O2S+ MolecularWeight: 430.9708

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)C4=CC=CC=C4Cl

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H24ClN3O2S/c23-17-6-2-1-5-16(17)19(26-10-3-4-11-26)14-24-22(28)15-7-8-20-18(13-15)25-21(27)9-12-29-20/h1-2,5-8,13,19H,3-4,9-12,14H2,(H,24,28)(H,25,27)/p+1/t19-/m0/s1