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

Systemtic Name: 2-[4-[[4-(1-ethyl-5-methyl-4-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-ethyl-4-isopropyl-5-methyl-imidazol-2-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[4-(1-ethyl-5-methyl-4-propan-2-yl-2-imidazolyl)-1-methyl-2-propyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[4-(1-ethyl-5-methyl-4-propan-2-ylimidazol-2-yl)-1-methyl-2-propylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[4-(1-ethyl-4-isopropyl-5-methyl-imidazol-2-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Formula: C34H39N4O2+ MolecularWeight: 535.69906

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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(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(C)C

InChI

InChI=1S/C34H38N4O2/c1-7-12-30-35-32-28(33-36-31(22(3)4)23(5)37(33)8-2)15-11-16-29(32)38(30,6)21-24-17-19-25(20-18-24)26-13-9-10-14-27(26)34(39)40/h9-11,13-20,22H,7-8,12,21H2,1-6H3/p+1