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

Systemtic Name: ethyl 1-[(4-chlorophenyl)methyl]-4,6-diphenyl-pyridin-1-ium-2-carboxylate Openeye Name: ethyl 1-[(4-chlorophenyl)methyl]-4,6-diphenyl-pyridin-1-ium-2-carboxylate CAS Name: 1-[(4-chlorophenyl)methyl]-4,6-diphenyl-2-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-chlorophenyl)methyl]-4,6-diphenylpyridin-1-ium-2-carboxylate Traditional Name: 1-(4-chlorobenzyl)-4,6-diphenyl-pyridin-1-ium-2-carboxylic acid ethyl ester Formula: C27H23ClNO2+ MolecularWeight: 428.93002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=[N+]1CC2=CC=C(C=C2)Cl)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=[N+]1CC2=CC=C(C=C2)Cl)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H23ClNO2/c1-2-31-27(30)26-18-23(21-9-5-3-6-10-21)17-25(22-11-7-4-8-12-22)29(26)19-20-13-15-24(28)16-14-20/h3-18H,2,19H2,1H3/q+1