2-[4-[[1-methyl-4-(1-methyl-4,5-diphenyl-imidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[1-methyl-4-(1-methyl-4,5-diphenyl-imidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[1-methyl-4-(1-methyl-4,5-diphenyl-imidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[1-methyl-4-(1-methyl-4,5-diphenyl-2-imidazolyl)-2-propyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[1-methyl-4-(1-methyl-4,5-diphenylimidazol-2-yl)-2-propylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[1-methyl-4-(1-methyl-4,5-diphenyl-imidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Formula: C41H37N4O2+ MolecularWeight: 617.75808

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C5=NC(=C(N5C)C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C5=NC(=C(N5C)C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C41H36N4O2/c1-4-14-36-42-38-34(40-43-37(30-15-7-5-8-16-30)39(44(40)2)31-17-9-6-10-18-31)21-13-22-35(38)45(36,3)27-28-23-25-29(26-24-28)32-19-11-12-20-33(32)41(46)47/h5-13,15-26H,4,14,27H2,1-3H3/p+1