4-[2,4,6-tris(4-methylphenyl)pyridin-1-ium-1-yl]benzoate

Systemtic Name: 4-[2,4,6-tris(4-methylphenyl)pyridin-1-ium-1-yl]benzoate Openeye Name: 4-[2,4,6-tris(p-tolyl)pyridin-1-ium-1-yl]benzoate CAS Name: 4-[2,4,6-tris(4-methylphenyl)-1-pyridin-1-iumyl]benzoate IUPAC Name: 4-[2,4,6-tris(4-methylphenyl)pyridin-1-ium-1-yl]benzoate Traditional Name: 4-[2,4,6-tris(p-tolyl)pyridin-1-ium-1-yl]benzoate Formula: C33H27NO2 MolecularWeight: 469.57298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H27NO2/c1-22-4-10-25(11-5-22)29-20-31(26-12-6-23(2)7-13-26)34(30-18-16-28(17-19-30)33(35)36)32(21-29)27-14-8-24(3)9-15-27/h4-21H,1-3H3