ethyl 4-(4-methylphenyl)-1-(6-methylpyridin-2-yl)-6-phenyl-pyridin-1-ium-2-carboxylate

Systemtic Name: ethyl 4-(4-methylphenyl)-1-(6-methylpyridin-2-yl)-6-phenyl-pyridin-1-ium-2-carboxylate Openeye Name: ethyl 1-(6-methyl-2-pyridyl)-6-phenyl-4-(p-tolyl)pyridin-1-ium-2-carboxylate CAS Name: 4-(4-methylphenyl)-1-(6-methyl-2-pyridinyl)-6-phenyl-2-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methylphenyl)-1-(6-methylpyridin-2-yl)-6-phenylpyridin-1-ium-2-carboxylate Traditional Name: 1-(6-methyl-2-pyridyl)-6-phenyl-4-(p-tolyl)pyridin-1-ium-2-carboxylic acid ethyl ester Formula: C27H25N2O2+ MolecularWeight: 409.4996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=[N+]1C2=CC=CC(=N2)C)C3=CC=CC=C3)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=[N+]1C2=CC=CC(=N2)C)C3=CC=CC=C3)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H25N2O2/c1-4-31-27(30)25-18-23(21-15-13-19(2)14-16-21)17-24(22-10-6-5-7-11-22)29(25)26-12-8-9-20(3)28-26/h5-18H,4H2,1-3H3/q+1