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

Systemtic Name: 4-[(3-methylphenyl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)-3-oxidanylidene-2-(phenylmethylidene)-1,4-benzothiazine-6-carboxamide Openeye Name: 2-benzylidene-N-(3-morpholin-4-ium-4-ylpropyl)-4-(m-tolylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide CAS Name: 4-[(3-methylphenyl)methyl]-N-[3-(4-morpholin-4-iumyl)propyl]-3-oxo-2-(phenylmethylene)-1,4-benzothiazine-6-carboxamide IUPAC Name: 2-benzylidene-4-[(3-methylphenyl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)-3-oxo-1,4-benzothiazine-6-carboxamide Traditional Name: 2-benzal-3-keto-4-(3-methylbenzyl)-N-(3-morpholin-4-ium-4-ylpropyl)-1,4-benzothiazine-6-carboxamide Formula: C31H34N3O3S+ MolecularWeight: 528.68496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(C=CC(=C3)C(=O)NCCC[NH+]4CCOCC4)SC(=CC5=CC=CC=C5)C2=O

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(C=CC(=C3)C(=O)NCCC[NH+]4CCOCC4)SC(=CC5=CC=CC=C5)C2=O

InChI

InChI=1S/C31H33N3O3S/c1-23-7-5-10-25(19-23)22-34-27-21-26(30(35)32-13-6-14-33-15-17-37-18-16-33)11-12-28(27)38-29(31(34)36)20-24-8-3-2-4-9-24/h2-5,7-12,19-21H,6,13-18,22H2,1H3,(H,32,35)/p+1