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

Systemtic Name: 2-[4-[[4-(4,5-diethyl-1-methyl-imidazol-2-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[4-(4,5-diethyl-1-methyl-imidazol-2-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[4-(4,5-diethyl-1-methyl-2-imidazolyl)-1-methyl-2-propyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[4-(4,5-diethyl-1-methylimidazol-2-yl)-1-methyl-2-propylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[4-(4,5-diethyl-1-methyl-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)CC)CC

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)CC)CC

InChI

InChI=1S/C33H36N4O2/c1-6-12-30-35-31-26(32-34-27(7-2)28(8-3)36(32)4)15-11-16-29(31)37(30,5)21-22-17-19-23(20-18-22)24-13-9-10-14-25(24)33(38)39/h9-11,13-20H,6-8,12,21H2,1-5H3/p+1