4-[2-(4-methylphenyl)-4,6-diphenyl-pyridin-1-ium-1-yl]benzoic acid perchlorate

Systemtic Name: 4-[2-(4-methylphenyl)-4,6-diphenyl-pyridin-1-ium-1-yl]benzoic acid perchlorate Openeye Name: 4-[2,4-diphenyl-6-(p-tolyl)pyridin-1-ium-1-yl]benzoic acid perchlorate CAS Name: 4-[2-(4-methylphenyl)-4,6-diphenyl-1-pyridin-1-iumyl]benzoic acid perchlorate IUPAC Name: 4-[2-(4-methylphenyl)-4,6-diphenylpyridin-1-ium-1-yl]benzoic acid perchlorate Traditional Name: 4-[2,4-diphenyl-6-(p-tolyl)pyridin-1-ium-1-yl]benzoic acid perchlorate Formula: C31H24ClNO6 MolecularWeight: 541.97836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=CC(=[N+]2C3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=CC(=[N+]2C3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C31H23NO2.ClHO4/c1-22-12-14-25(15-13-22)30-21-27(23-8-4-2-5-9-23)20-29(24-10-6-3-7-11-24)32(30)28-18-16-26(17-19-28)31(33)34;2-1(3,4)5/h2-21H,1H3;(H,2,3,4,5)