4-methyl-2-[(3-methylphenyl)methylidene]-6-(4-piperidin-1-ium-1-ylpiperidin-1-yl)carbonyl-1,4-benzothiazin-3-one

Systemtic Name: 4-methyl-2-[(3-methylphenyl)methylidene]-6-(4-piperidin-1-ium-1-ylpiperidin-1-yl)carbonyl-1,4-benzothiazin-3-one Openeye Name: 4-methyl-2-(m-tolylmethylene)-6-(4-piperidin-1-ium-1-ylpiperidine-1-carbonyl)-1,4-benzothiazin-3-one CAS Name: 4-methyl-2-[(3-methylphenyl)methylidene]-6-[oxo-[4-(1-piperidin-1-iumyl)-1-piperidinyl]methyl]-1,4-benzothiazin-3-one IUPAC Name: 4-methyl-2-[(3-methylphenyl)methylidene]-6-(4-piperidin-1-ium-1-ylpiperidine-1-carbonyl)-1,4-benzothiazin-3-one Traditional Name: 4-methyl-2-(3-methylbenzylidene)-6-(4-piperidin-1-ium-1-ylpiperidine-1-carbonyl)-1,4-benzothiazin-3-one Formula: C28H34N3O2S+ MolecularWeight: 476.65346

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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)N4CCC(CC4)[NH+]5CCCCC5)C

Isomeric SMILES

CC1=CC=CC(=C1)C=C2C(=O)N(C3=C(S2)C=CC(=C3)C(=O)N4CCC(CC4)[NH+]5CCCCC5)C

InChI

InChI=1S/C28H33N3O2S/c1-20-7-6-8-21(17-20)18-26-28(33)29(2)24-19-22(9-10-25(24)34-26)27(32)31-15-11-23(12-16-31)30-13-4-3-5-14-30/h6-10,17-19,23H,3-5,11-16H2,1-2H3/p+1