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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2=CC3=C(C=C2)SC(=CC4=CC=CC=C4)C(=O)N3CC5=CC=CC(=C5)C

Isomeric SMILES

CC[NH+]1CCCC1CNC(=O)C2=CC3=C(C=C2)SC(=CC4=CC=CC=C4)C(=O)N3CC5=CC=CC(=C5)C

InChI

InChI=1S/C31H33N3O2S/c1-3-33-16-8-13-26(33)20-32-30(35)25-14-15-28-27(19-25)34(21-24-12-7-9-22(2)17-24)31(36)29(37-28)18-23-10-5-4-6-11-23/h4-7,9-12,14-15,17-19,26H,3,8,13,16,20-21H2,1-2H3,(H,32,35)/p+1