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

Systemtic Name: 4-[(3-methylphenyl)methyl]-3-oxidanylidene-2-(phenylmethylidene)-N-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzothiazine-6-carboxamide Openeye Name: 2-benzylidene-4-(m-tolylmethyl)-3-oxo-N-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzothiazine-6-carboxamide CAS Name: 4-[(3-methylphenyl)methyl]-3-oxo-2-(phenylmethylene)-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-1,4-benzothiazine-6-carboxamide IUPAC Name: 2-benzylidene-4-[(3-methylphenyl)methyl]-3-oxo-N-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzothiazine-6-carboxamide Traditional Name: 2-benzal-3-keto-4-(3-methylbenzyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzothiazine-6-carboxamide Formula: C30H32N3O2S+ MolecularWeight: 498.65898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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