[4-[4-(4-methylphenyl)phenyl]phenyl] 1-(2-ethoxyethyl)pyridin-1-ium-4-carboxylate

Systemtic Name: [4-[4-(4-methylphenyl)phenyl]phenyl] 1-(2-ethoxyethyl)pyridin-1-ium-4-carboxylate Openeye Name: [4-[4-(p-tolyl)phenyl]phenyl] 1-(2-ethoxyethyl)pyridin-1-ium-4-carboxylate CAS Name: 1-(2-ethoxyethyl)-4-pyridin-1-iumcarboxylic acid [4-[4-(4-methylphenyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(4-methylphenyl)phenyl]phenyl] 1-(2-ethoxyethyl)pyridin-1-ium-4-carboxylate Traditional Name: 1-(2-ethoxyethyl)pyridin-1-ium-4-carboxylic acid [4-[4-(p-tolyl)phenyl]phenyl] ester Formula: C29H28NO3+ MolecularWeight: 438.53752

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC[N+]1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)C

Isomeric SMILES

CCOCC[N+]1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)C

InChI

InChI=1S/C29H28NO3/c1-3-32-21-20-30-18-16-27(17-19-30)29(31)33-28-14-12-26(13-15-28)25-10-8-24(9-11-25)23-6-4-22(2)5-7-23/h4-19H,3,20-21H2,1-2H3/q+1