4-methyl-2-[(3-methylphenyl)methylidene]-3-oxidanylidene-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1,4-benzothiazine-6-carboxamide

Systemtic Name: 4-methyl-2-[(3-methylphenyl)methylidene]-3-oxidanylidene-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1,4-benzothiazine-6-carboxamide Openeye Name: 4-methyl-2-(m-tolylmethylene)-3-oxo-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1,4-benzothiazine-6-carboxamide CAS Name: 4-methyl-2-[(3-methylphenyl)methylidene]-3-oxo-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1,4-benzothiazine-6-carboxamide IUPAC Name: 4-methyl-2-[(3-methylphenyl)methylidene]-3-oxo-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1,4-benzothiazine-6-carboxamide Traditional Name: 3-keto-4-methyl-2-(3-methylbenzylidene)-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1,4-benzothiazine-6-carboxamide Formula: C30H32N3O2S+ MolecularWeight: 498.65898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=C2C(=O)N(C3=C(S2)C=CC(=C3)C(=O)NCCC[NH+]4CCC5=CC=CC=C5C4)C

Isomeric SMILES

CC1=CC=CC(=C1)C=C2C(=O)N(C3=C(S2)C=CC(=C3)C(=O)NCCC[NH+]4CCC5=CC=CC=C5C4)C

InChI

InChI=1S/C30H31N3O2S/c1-21-7-5-8-22(17-21)18-28-30(35)32(2)26-19-24(11-12-27(26)36-28)29(34)31-14-6-15-33-16-13-23-9-3-4-10-25(23)20-33/h3-5,7-12,17-19H,6,13-16,20H2,1-2H3,(H,31,34)/p+1