methyl 2-(3,5-dimethylpiperidin-1-ium-1-yl)-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate

Systemtic Name: methyl 2-(3,5-dimethylpiperidin-1-ium-1-yl)-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate Openeye Name: methyl 2-(3,5-dimethylpiperidin-1-ium-1-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxylate CAS Name: 2-(3,5-dimethyl-1-piperidin-1-iumyl)-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(3,5-dimethylpiperidin-1-ium-1-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxylate Traditional Name: 2-(3,5-dimethylpiperidin-1-ium-1-yl)-3-keto-4H-1,4-benzothiazine-6-carboxylic acid methyl ester Formula: C17H23N2O3S+ MolecularWeight: 335.44112

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)C2C(=O)NC3=C(S2)C=CC(=C3)C(=O)OC)C

Isomeric SMILES

CC1CC(C[NH+](C1)C2C(=O)NC3=C(S2)C=CC(=C3)C(=O)OC)C

InChI

InChI=1S/C17H22N2O3S/c1-10-6-11(2)9-19(8-10)16-15(20)18-13-7-12(17(21)22-3)4-5-14(13)23-16/h4-5,7,10-11,16H,6,8-9H2,1-3H3,(H,18,20)/p+1