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

Systemtic Name: 2-[4-[[4-(1-ethyl-4,5-dimethyl-imidazol-2-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[4-(1-ethyl-4,5-dimethyl-imidazol-2-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[4-(1-ethyl-4,5-dimethyl-2-imidazolyl)-1-methyl-2-propyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[4-(1-ethyl-4,5-dimethylimidazol-2-yl)-1-methyl-2-propylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[4-(1-ethyl-4,5-dimethyl-imidazol-2-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Formula: C32H35N4O2+ MolecularWeight: 507.6459

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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(N5CC)C)C

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(N5CC)C)C

InChI

InChI=1S/C32H34N4O2/c1-6-11-29-34-30-27(31-33-21(3)22(4)35(31)7-2)14-10-15-28(30)36(29,5)20-23-16-18-24(19-17-23)25-12-8-9-13-26(25)32(37)38/h8-10,12-19H,6-7,11,20H2,1-5H3/p+1