5-[(3-chlorophenyl)methyl]-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-6,11-bis(oxidanylidene)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 5-[(3-chlorophenyl)methyl]-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-6,11-bis(oxidanylidene)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-[(3-chlorophenyl)methyl]-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-6,11-dioxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[(3-chlorophenyl)methyl]-N-[(1-ethyl-2-pyrrolidin-1-iumyl)methyl]-6,11-dioxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-[(3-chlorophenyl)methyl]-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-(3-chlorobenzyl)-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-6,11-diketo-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C28H29ClN3O3S+ MolecularWeight: 523.06616

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2=CC3=C(C=C2)S(=O)C4=CC=CC=C4C(=O)N3CC5=CC(=CC=C5)Cl

Isomeric SMILES

CC[NH+]1CCCC1CNC(=O)C2=CC3=C(C=C2)S(=O)C4=CC=CC=C4C(=O)N3CC5=CC(=CC=C5)Cl

InChI

InChI=1S/C28H28ClN3O3S/c1-2-31-14-6-9-22(31)17-30-27(33)20-12-13-26-24(16-20)32(18-19-7-5-8-21(29)15-19)28(34)23-10-3-4-11-25(23)36(26)35/h3-5,7-8,10-13,15-16,22H,2,6,9,14,17-18H2,1H3,(H,30,33)/p+1