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

Systemtic Name: 4-[[4-[(2-methylphenyl)methyl]-3-oxidanylidene-1,4-benzothiazin-2-ylidene]methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Openeye Name: 4-[[4-(o-tolylmethyl)-3-oxo-1,4-benzothiazin-2-ylidene]methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide CAS Name: 4-[[4-[(2-methylphenyl)methyl]-3-oxo-1,4-benzothiazin-2-ylidene]methyl]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 4-[[4-[(2-methylphenyl)methyl]-3-oxo-1,4-benzothiazin-2-ylidene]methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Traditional Name: 4-[[3-keto-4-(2-methylbenzyl)-1,4-benzothiazin-2-ylidene]methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Formula: C30H32N3O2S+ MolecularWeight: 498.65898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C3=CC=CC=C3SC(=CC4=CC=C(C=C4)C(=O)NCC[NH+]5CCCC5)C2=O

Isomeric SMILES

CC1=CC=CC=C1CN2C3=CC=CC=C3SC(=CC4=CC=C(C=C4)C(=O)NCC[NH+]5CCCC5)C2=O

InChI

InChI=1S/C30H31N3O2S/c1-22-8-2-3-9-25(22)21-33-26-10-4-5-11-27(26)36-28(30(33)35)20-23-12-14-24(15-13-23)29(34)31-16-19-32-17-6-7-18-32/h2-5,8-15,20H,6-7,16-19,21H2,1H3,(H,31,34)/p+1