diethyl 1,4-bis(4-methylphenyl)pyridin-1-ium-2,6-dicarboxylate

Systemtic Name: diethyl 1,4-bis(4-methylphenyl)pyridin-1-ium-2,6-dicarboxylate Openeye Name: diethyl 1,4-bis(p-tolyl)pyridin-1-ium-2,6-dicarboxylate CAS Name: 1,4-bis(4-methylphenyl)pyridin-1-ium-2,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1,4-bis(4-methylphenyl)pyridin-1-ium-2,6-dicarboxylate Traditional Name: 1,4-bis(p-tolyl)pyridin-1-ium-2,6-dicarboxylic acid diethyl ester Formula: C25H26NO4+ MolecularWeight: 404.47824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26NO4/c1-5-29-24(27)22-15-20(19-11-7-17(3)8-12-19)16-23(25(28)30-6-2)26(22)21-13-9-18(4)10-14-21/h7-16H,5-6H2,1-4H3/q+1