ethyl 1-[2-(4-chlorophenyl)ethyl]-4,6-diphenyl-pyridin-1-ium-2-carboxylate

Systemtic Name: ethyl 1-[2-(4-chlorophenyl)ethyl]-4,6-diphenyl-pyridin-1-ium-2-carboxylate Openeye Name: ethyl 1-[2-(4-chlorophenyl)ethyl]-4,6-diphenyl-pyridin-1-ium-2-carboxylate CAS Name: 1-[2-(4-chlorophenyl)ethyl]-4,6-diphenyl-2-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-chlorophenyl)ethyl]-4,6-diphenylpyridin-1-ium-2-carboxylate Traditional Name: 1-[2-(4-chlorophenyl)ethyl]-4,6-diphenyl-pyridin-1-ium-2-carboxylic acid ethyl ester Formula: C28H25ClNO2+ MolecularWeight: 442.9566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=[N+]1CCC2=CC=C(C=C2)Cl)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=[N+]1CCC2=CC=C(C=C2)Cl)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H25ClNO2/c1-2-32-28(31)27-20-24(22-9-5-3-6-10-22)19-26(23-11-7-4-8-12-23)30(27)18-17-21-13-15-25(29)16-14-21/h3-16,19-20H,2,17-18H2,1H3/q+1