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

Systemtic Name: 2-(4-methoxyphenyl)-4,5-bis(4-methylphenyl)-1,3-bis(phenylmethyl)-4H-imidazol-3-ium-5-carboxylate Openeye Name: 1,3-dibenzyl-2-(4-methoxyphenyl)-4,5-bis(p-tolyl)-4H-imidazol-3-ium-5-carboxylate CAS Name: 2-(4-methoxyphenyl)-4,5-bis(4-methylphenyl)-1,3-bis(phenylmethyl)-4H-imidazol-3-ium-5-carboxylate IUPAC Name: 1,3-dibenzyl-2-(4-methoxyphenyl)-4,5-bis(4-methylphenyl)-4H-imidazol-3-ium-5-carboxylate Traditional Name: 1,3-dibenzyl-2-(4-methoxyphenyl)-4,5-bis(p-tolyl)-2-imidazolin-1-ium-4-carboxylate Formula: C39H36N2O3 MolecularWeight: 580.71474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(N(C(=[N+]2CC3=CC=CC=C3)C4=CC=C(C=C4)OC)CC5=CC=CC=C5)(C6=CC=C(C=C6)C)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2C(N(C(=[N+]2CC3=CC=CC=C3)C4=CC=C(C=C4)OC)CC5=CC=CC=C5)(C6=CC=C(C=C6)C)C(=O)[O-]

InChI

InChI=1S/C39H36N2O3/c1-28-14-18-32(19-15-28)36-39(38(42)43,34-22-16-29(2)17-23-34)41(27-31-12-8-5-9-13-31)37(33-20-24-35(44-3)25-21-33)40(36)26-30-10-6-4-7-11-30/h4-25,36H,26-27H2,1-3H3