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

Systemtic Name: methyl 2-(2-ethylpiperidin-1-ium-1-yl)-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate Openeye Name: methyl 2-(2-ethylpiperidin-1-ium-1-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxylate CAS Name: 2-(2-ethyl-1-piperidin-1-iumyl)-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-ethylpiperidin-1-ium-1-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxylate Traditional Name: 2-(2-ethylpiperidin-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:

CCC1CCCC[NH+]1C2C(=O)NC3=C(S2)C=CC(=C3)C(=O)OC

Isomeric SMILES

CCC1CCCC[NH+]1C2C(=O)NC3=C(S2)C=CC(=C3)C(=O)OC

InChI

InChI=1S/C17H22N2O3S/c1-3-12-6-4-5-9-19(12)16-15(20)18-13-10-11(17(21)22-2)7-8-14(13)23-16/h7-8,10,12,16H,3-6,9H2,1-2H3,(H,18,20)/p+1