5-ethyl-6-oxidanylidene-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 5-ethyl-6-oxidanylidene-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-ethyl-6-oxo-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-ethyl-6-oxo-N-[3-(1-pyrrolidin-1-iumyl)propyl]-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-ethyl-6-oxo-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-ethyl-6-keto-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C23H28N3O2S+ MolecularWeight: 410.55232

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C(=O)NCCC[NH+]3CCCC3)SC4=CC=CC=C4C1=O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)C(=O)NCCC[NH+]3CCCC3)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C23H27N3O2S/c1-2-26-19-16-17(22(27)24-12-7-15-25-13-5-6-14-25)10-11-21(19)29-20-9-4-3-8-18(20)23(26)28/h3-4,8-11,16H,2,5-7,12-15H2,1H3,(H,24,27)/p+1