ethyl 1,4-bis(4-methylphenyl)-6-phenyl-pyridin-1-ium-2-carboxylate

Systemtic Name: ethyl 1,4-bis(4-methylphenyl)-6-phenyl-pyridin-1-ium-2-carboxylate Openeye Name: ethyl 6-phenyl-1,4-bis(p-tolyl)pyridin-1-ium-2-carboxylate CAS Name: 1,4-bis(4-methylphenyl)-6-phenyl-2-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1,4-bis(4-methylphenyl)-6-phenylpyridin-1-ium-2-carboxylate Traditional Name: 6-phenyl-1,4-bis(p-tolyl)pyridin-1-ium-2-carboxylic acid ethyl ester Formula: C28H26NO2+ MolecularWeight: 408.51154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H26NO2/c1-4-31-28(30)27-19-24(22-14-10-20(2)11-15-22)18-26(23-8-6-5-7-9-23)29(27)25-16-12-21(3)13-17-25/h5-19H,4H2,1-3H3/q+1