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

Systemtic Name: [4-(4-methylphenyl)phenyl] 1-(cyclohexylmethyl)pyridin-1-ium-4-carboxylate Openeye Name: [4-(p-tolyl)phenyl] 1-(cyclohexylmethyl)pyridin-1-ium-4-carboxylate CAS Name: 1-(cyclohexylmethyl)-4-pyridin-1-iumcarboxylic acid [4-(4-methylphenyl)phenyl] ester IUPAC Name: [4-(4-methylphenyl)phenyl] 1-(cyclohexylmethyl)pyridin-1-ium-4-carboxylate Traditional Name: 1-(cyclohexylmethyl)pyridin-1-ium-4-carboxylic acid [4-(p-tolyl)phenyl] ester Formula: C26H28NO2+ MolecularWeight: 386.50602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=[N+](C=C3)CC4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=[N+](C=C3)CC4CCCCC4

InChI

InChI=1S/C26H28NO2/c1-20-7-9-22(10-8-20)23-11-13-25(14-12-23)29-26(28)24-15-17-27(18-16-24)19-21-5-3-2-4-6-21/h7-18,21H,2-6,19H2,1H3/q+1