4,5-bis(4-methylphenyl)-2-phenyl-1,3-bis(phenylmethyl)-4H-imidazol-1-ium-5-carboxylate

Systemtic Name: 4,5-bis(4-methylphenyl)-2-phenyl-1,3-bis(phenylmethyl)-4H-imidazol-1-ium-5-carboxylate Openeye Name: 1,3-dibenzyl-2-phenyl-4,5-bis(p-tolyl)-4H-imidazol-1-ium-5-carboxylate CAS Name: 4,5-bis(4-methylphenyl)-2-phenyl-1,3-bis(phenylmethyl)-4H-imidazol-1-ium-5-carboxylate IUPAC Name: 1,3-dibenzyl-4,5-bis(4-methylphenyl)-2-phenyl-4H-imidazol-1-ium-5-carboxylate Traditional Name: 1,3-dibenzyl-2-phenyl-4,5-bis(p-tolyl)-2-imidazolin-3-ium-4-carboxylate Formula: C38H34N2O2 MolecularWeight: 550.68876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C([N+](=C(N2CC3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5)(C6=CC=C(C=C6)C)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2C([N+](=C(N2CC3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5)(C6=CC=C(C=C6)C)C(=O)[O-]

InChI

InChI=1S/C38H34N2O2/c1-28-18-22-32(23-19-28)35-38(37(41)42,34-24-20-29(2)21-25-34)40(27-31-14-8-4-9-15-31)36(33-16-10-5-11-17-33)39(35)26-30-12-6-3-7-13-30/h3-25,35H,26-27H2,1-2H3