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

Systemtic Name: N-[3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl]-4-methyl-2-[(3-methylphenyl)methylidene]-3-oxidanylidene-1,4-benzothiazine-6-carboxamide Openeye Name: N-[3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl]-4-methyl-2-(m-tolylmethylene)-3-oxo-1,4-benzothiazine-6-carboxamide CAS Name: N-[3-(2,6-dimethyl-1-piperidin-1-iumyl)propyl]-4-methyl-2-[(3-methylphenyl)methylidene]-3-oxo-1,4-benzothiazine-6-carboxamide IUPAC Name: N-[3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl]-4-methyl-2-[(3-methylphenyl)methylidene]-3-oxo-1,4-benzothiazine-6-carboxamide Traditional Name: N-[3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl]-3-keto-4-methyl-2-(3-methylbenzylidene)-1,4-benzothiazine-6-carboxamide Formula: C28H36N3O2S+ MolecularWeight: 478.66934

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1CCCNC(=O)C2=CC3=C(C=C2)SC(=CC4=CC(=CC=C4)C)C(=O)N3C)C

Isomeric SMILES

CC1CCCC([NH+]1CCCNC(=O)C2=CC3=C(C=C2)SC(=CC4=CC(=CC=C4)C)C(=O)N3C)C

InChI

InChI=1S/C28H35N3O2S/c1-19-8-5-11-22(16-19)17-26-28(33)30(4)24-18-23(12-13-25(24)34-26)27(32)29-14-7-15-31-20(2)9-6-10-21(31)3/h5,8,11-13,16-18,20-21H,6-7,9-10,14-15H2,1-4H3,(H,29,32)/p+1