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

Systemtic Name: 1-[(4-chlorophenyl)methyl]-4,6-diphenyl-pyridin-1-ium-2-carboxylate Openeye Name: 1-[(4-chlorophenyl)methyl]-4,6-diphenyl-pyridin-1-ium-2-carboxylate CAS Name: 1-[(4-chlorophenyl)methyl]-4,6-diphenyl-2-pyridin-1-iumcarboxylate IUPAC Name: 1-[(4-chlorophenyl)methyl]-4,6-diphenylpyridin-1-ium-2-carboxylate Traditional Name: 1-(4-chlorobenzyl)-4,6-diphenyl-pyridin-1-ium-2-carboxylate Formula: C25H18ClNO2 MolecularWeight: 399.86892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C(=O)[O-])CC3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C(=O)[O-])CC3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C25H18ClNO2/c26-22-13-11-18(12-14-22)17-27-23(20-9-5-2-6-10-20)15-21(16-24(27)25(28)29)19-7-3-1-4-8-19/h1-16H,17H2