2-[4-[[4-(1-cyclohexylbenzimidazol-2-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[4-(1-cyclohexylbenzimidazol-2-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[4-(1-cyclohexylbenzimidazol-2-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[4-(1-cyclohexyl-2-benzimidazolyl)-1-methyl-2-propyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[4-(1-cyclohexylbenzimidazol-2-yl)-1-methyl-2-propylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[4-(1-cyclohexylbenzimidazol-2-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Formula: C38H39N4O2+ MolecularWeight: 583.74186

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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=NC6=CC=CC=C6N5C7CCCCC7

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C5=NC6=CC=CC=C6N5C7CCCCC7

InChI

InChI=1S/C38H38N4O2/c1-3-12-35-40-36-31(37-39-32-18-9-10-19-33(32)41(37)28-13-5-4-6-14-28)17-11-20-34(36)42(35,2)25-26-21-23-27(24-22-26)29-15-7-8-16-30(29)38(43)44/h7-11,15-24,28H,3-6,12-14,25H2,1-2H3/p+1