5-[(2-chlorophenyl)methyl]-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 5-[(2-chlorophenyl)methyl]-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-[(2-chlorophenyl)methyl]-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[(2-chlorophenyl)methyl]-N-[(1-ethyl-2-pyrrolidin-1-iumyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-[(2-chlorophenyl)methyl]-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-(2-chlorobenzyl)-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C28H29ClN3O2S+ MolecularWeight: 507.06676

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5Cl

Isomeric SMILES

CC[NH+]1CCCC1CNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5Cl

InChI

InChI=1S/C28H28ClN3O2S/c1-2-31-15-7-9-21(31)17-30-27(33)19-13-14-26-24(16-19)32(18-20-8-3-5-11-23(20)29)28(34)22-10-4-6-12-25(22)35-26/h3-6,8,10-14,16,21H,2,7,9,15,17-18H2,1H3,(H,30,33)/p+1