ethyl 6-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-4-phenyl-pyridin-1-ium-2-carboxylate

Systemtic Name: ethyl 6-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-4-phenyl-pyridin-1-ium-2-carboxylate Openeye Name: ethyl 4-phenyl-6-(p-tolyl)-1-(p-tolylmethyl)pyridin-1-ium-2-carboxylate CAS Name: 6-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-4-phenyl-2-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-4-phenylpyridin-1-ium-2-carboxylate Traditional Name: 1-(4-methylbenzyl)-4-phenyl-6-(p-tolyl)pyridin-1-ium-2-carboxylic acid ethyl ester Formula: C29H28NO2+ MolecularWeight: 422.53812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=[N+]1CC2=CC=C(C=C2)C)C3=CC=C(C=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=[N+]1CC2=CC=C(C=C2)C)C3=CC=C(C=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C29H28NO2/c1-4-32-29(31)28-19-26(24-8-6-5-7-9-24)18-27(25-16-12-22(3)13-17-25)30(28)20-23-14-10-21(2)11-15-23/h5-19H,4,20H2,1-3H3/q+1