diethyl 4-methyl-4-oxidanyl-6-oxidanylidene-2-pyridin-1-ium-3-yl-cyclohexane-1,3-dicarboxylate

Systemtic Name: diethyl 4-methyl-4-oxidanyl-6-oxidanylidene-2-pyridin-1-ium-3-yl-cyclohexane-1,3-dicarboxylate Openeye Name: diethyl 4-hydroxy-4-methyl-6-oxo-2-pyridin-1-ium-3-yl-cyclohexane-1,3-dicarboxylate CAS Name: 4-hydroxy-4-methyl-6-oxo-2-(3-pyridin-1-iumyl)cyclohexane-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-hydroxy-4-methyl-6-oxo-2-pyridin-1-ium-3-ylcyclohexane-1,3-dicarboxylate Traditional Name: 4-hydroxy-6-keto-4-methyl-2-pyridin-1-ium-3-yl-cyclohexane-1,3-dicarboxylic acid diethyl ester Formula: C18H24NO6+ MolecularWeight: 350.38626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=C[NH+]=CC=C2

Isomeric SMILES

CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=C[NH+]=CC=C2

InChI

InChI=1S/C18H23NO6/c1-4-24-16(21)14-12(20)9-18(3,23)15(17(22)25-5-2)13(14)11-7-6-8-19-10-11/h6-8,10,13-15,23H,4-5,9H2,1-3H3/p+1