4-[(2,5-dimethylphenyl)methyl]-N-[2-methyl-3-(4-methylpiperidin-1-ium-1-yl)propyl]-3-oxidanylidene-1,4-benzothiazine-6-carboxamide

Systemtic Name: 4-[(2,5-dimethylphenyl)methyl]-N-[2-methyl-3-(4-methylpiperidin-1-ium-1-yl)propyl]-3-oxidanylidene-1,4-benzothiazine-6-carboxamide Openeye Name: 4-[(2,5-dimethylphenyl)methyl]-N-[2-methyl-3-(4-methylpiperidin-1-ium-1-yl)propyl]-3-oxo-1,4-benzothiazine-6-carboxamide CAS Name: 4-[(2,5-dimethylphenyl)methyl]-N-[2-methyl-3-(4-methyl-1-piperidin-1-iumyl)propyl]-3-oxo-1,4-benzothiazine-6-carboxamide IUPAC Name: 4-[(2,5-dimethylphenyl)methyl]-N-[2-methyl-3-(4-methylpiperidin-1-ium-1-yl)propyl]-3-oxo-1,4-benzothiazine-6-carboxamide Traditional Name: 4-(2,5-dimethylbenzyl)-3-keto-N-[2-methyl-3-(4-methylpiperidin-1-ium-1-yl)propyl]-1,4-benzothiazine-6-carboxamide Formula: C28H38N3O2S+ MolecularWeight: 480.68522

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(C)CNC(=O)C2=CC3=C(C=C2)SCC(=O)N3CC4=C(C=CC(=C4)C)C

Isomeric SMILES

CC1CC[NH+](CC1)CC(C)CNC(=O)C2=CC3=C(C=C2)SCC(=O)N3CC4=C(C=CC(=C4)C)C

InChI

InChI=1S/C28H37N3O2S/c1-19-9-11-30(12-10-19)16-21(3)15-29-28(33)23-7-8-26-25(14-23)31(27(32)18-34-26)17-24-13-20(2)5-6-22(24)4/h5-8,13-14,19,21H,9-12,15-18H2,1-4H3,(H,29,33)/p+1