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

Systemtic Name: 2-[4-[[4-(4,5-dimethyl-1-propan-2-yl-imidazol-2-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[4-(1-isopropyl-4,5-dimethyl-imidazol-2-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[4-(4,5-dimethyl-1-propan-2-yl-2-imidazolyl)-1-methyl-2-propyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[4-(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)-1-methyl-2-propylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[4-(1-isopropyl-4,5-dimethyl-imidazol-2-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Formula: C33H37N4O2+ MolecularWeight: 521.67248

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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(C)C)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(N5C(C)C)C)C

InChI

InChI=1S/C33H36N4O2/c1-7-11-30-35-31-28(32-34-22(4)23(5)36(32)21(2)3)14-10-15-29(31)37(30,6)20-24-16-18-25(19-17-24)26-12-8-9-13-27(26)33(38)39/h8-10,12-19,21H,7,11,20H2,1-6H3/p+1