2-[4-[[2-butyl-1-(1-butylimidazol-2-yl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[2-butyl-1-(1-butylimidazol-2-yl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-1-(1-butylimidazol-2-yl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-1-(1-butyl-2-imidazolyl)-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-1-(1-butylimidazol-2-yl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-1-(1-butylimidazol-2-yl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Formula: C32H35N4O2+ MolecularWeight: 507.6459

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C5=NC=CN5CCCC

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C5=NC=CN5CCCC

InChI

InChI=1S/C32H34N4O2/c1-3-5-15-30-34-28-13-9-10-14-29(28)36(30,32-33-20-22-35(32)21-6-4-2)23-24-16-18-25(19-17-24)26-11-7-8-12-27(26)31(37)38/h7-14,16-20,22H,3-6,15,21,23H2,1-2H3/p+1