4-[[4-[(3-methylphenyl)methyl]-3-oxidanylidene-1,4-benzothiazin-2-ylidene]methyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide

Systemtic Name: 4-[[4-[(3-methylphenyl)methyl]-3-oxidanylidene-1,4-benzothiazin-2-ylidene]methyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Openeye Name: 4-[[4-(m-tolylmethyl)-3-oxo-1,4-benzothiazin-2-ylidene]methyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide CAS Name: 4-[[4-[(3-methylphenyl)methyl]-3-oxo-1,4-benzothiazin-2-ylidene]methyl]-N-[3-(1-pyrrolidin-1-iumyl)propyl]benzamide IUPAC Name: 4-[[4-[(3-methylphenyl)methyl]-3-oxo-1,4-benzothiazin-2-ylidene]methyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Traditional Name: 4-[[3-keto-4-(3-methylbenzyl)-1,4-benzothiazin-2-ylidene]methyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Formula: C31H34N3O2S+ MolecularWeight: 512.68556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=CC=CC=C3SC(=CC4=CC=C(C=C4)C(=O)NCCC[NH+]5CCCC5)C2=O

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=CC=CC=C3SC(=CC4=CC=C(C=C4)C(=O)NCCC[NH+]5CCCC5)C2=O

InChI

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