4-[(3-methylphenyl)methyl]-3-oxidanylidene-2-(phenylmethylidene)-N-(3-pyrrolidin-1-ium-1-ylpropyl)-1,4-benzothiazine-6-carboxamide

Systemtic Name: 4-[(3-methylphenyl)methyl]-3-oxidanylidene-2-(phenylmethylidene)-N-(3-pyrrolidin-1-ium-1-ylpropyl)-1,4-benzothiazine-6-carboxamide Openeye Name: 2-benzylidene-4-(m-tolylmethyl)-3-oxo-N-(3-pyrrolidin-1-ium-1-ylpropyl)-1,4-benzothiazine-6-carboxamide CAS Name: 4-[(3-methylphenyl)methyl]-3-oxo-2-(phenylmethylene)-N-[3-(1-pyrrolidin-1-iumyl)propyl]-1,4-benzothiazine-6-carboxamide IUPAC Name: 2-benzylidene-4-[(3-methylphenyl)methyl]-3-oxo-N-(3-pyrrolidin-1-ium-1-ylpropyl)-1,4-benzothiazine-6-carboxamide Traditional Name: 2-benzal-3-keto-4-(3-methylbenzyl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)-1,4-benzothiazine-6-carboxamide Formula: C31H34N3O2S+ MolecularWeight: 512.68556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(C=CC(=C3)C(=O)NCCC[NH+]4CCCC4)SC(=CC5=CC=CC=C5)C2=O

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(C=CC(=C3)C(=O)NCCC[NH+]4CCCC4)SC(=CC5=CC=CC=C5)C2=O

InChI

InChI=1S/C31H33N3O2S/c1-23-9-7-12-25(19-23)22-34-27-21-26(30(35)32-15-8-18-33-16-5-6-17-33)13-14-28(27)37-29(31(34)36)20-24-10-3-2-4-11-24/h2-4,7,9-14,19-21H,5-6,8,15-18,22H2,1H3,(H,32,35)/p+1