diethyl 1,2,6-trimethyl-4-pyridin-1-ium-3-yl-4H-pyridine-3,5-dicarboxylate

Systemtic Name: diethyl 1,2,6-trimethyl-4-pyridin-1-ium-3-yl-4H-pyridine-3,5-dicarboxylate Openeye Name: diethyl 1,2,6-trimethyl-4-pyridin-1-ium-3-yl-4H-pyridine-3,5-dicarboxylate CAS Name: 1,2,6-trimethyl-4-(3-pyridin-1-iumyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1,2,6-trimethyl-4-pyridin-1-ium-3-yl-4H-pyridine-3,5-dicarboxylate Traditional Name: 1,2,6-trimethyl-4-pyridin-1-ium-3-yl-4H-pyridine-3,5-dicarboxylic acid diethyl ester Formula: C19H25N2O4+ MolecularWeight: 345.4128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C(C1C2=C[NH+]=CC=C2)C(=O)OCC)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C(C1C2=C[NH+]=CC=C2)C(=O)OCC)C)C)C

InChI

InChI=1S/C19H24N2O4/c1-6-24-18(22)15-12(3)21(5)13(4)16(19(23)25-7-2)17(15)14-9-8-10-20-11-14/h8-11,17H,6-7H2,1-5H3/p+1