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

Systemtic Name: 4-methyl-2-[(3-methylphenyl)methylidene]-3-oxidanylidene-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1,4-benzothiazine-6-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-methyl-2-(m-tolylmethylene)-3-oxo-1,4-benzothiazine-6-carboxamide CAS Name: 4-methyl-2-[(3-methylphenyl)methylidene]-3-oxo-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1,4-benzothiazine-6-carboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-methyl-2-[(3-methylphenyl)methylidene]-3-oxo-1,4-benzothiazine-6-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-keto-4-methyl-2-(3-methylbenzylidene)-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)NC4CC[NH+](CC4)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC=CC(=C1)C=C2C(=O)N(C3=C(S2)C=CC(=C3)C(=O)NC4CC[NH+](CC4)CC5=CC=CC=C5)C

InChI

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