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

Systemtic Name: 2-[4-[[1-(1-cyclohexylimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[1-(1-cyclohexylimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[1-(1-cyclohexyl-2-imidazolyl)-2-propyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[1-(1-cyclohexylimidazol-2-yl)-2-propylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[1-(1-cyclohexylimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Formula: C33H35N4O2+ MolecularWeight: 519.6566

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C5=NC=CN5C6CCCCC6

Isomeric SMILES

CCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C5=NC=CN5C6CCCCC6

InChI

InChI=1S/C33H34N4O2/c1-2-10-31-35-29-15-8-9-16-30(29)37(31,33-34-21-22-36(33)26-11-4-3-5-12-26)23-24-17-19-25(20-18-24)27-13-6-7-14-28(27)32(38)39/h6-9,13-22,26H,2-5,10-12,23H2,1H3/p+1