2-[4-[[4-(1-heptan-4-ylimidazol-4-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[4-(1-heptan-4-ylimidazol-4-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[1-methyl-2-propyl-4-[1-(1-propylbutyl)imidazol-4-yl]benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[4-(1-heptan-4-yl-4-imidazolyl)-1-methyl-2-propyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[4-(1-heptan-4-ylimidazol-4-yl)-1-methyl-2-propylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[1-methyl-2-propyl-4-[1-(1-propylbutyl)imidazol-4-yl]benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Formula: C35H41N4O2+ MolecularWeight: 549.72564

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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=CN(C=N5)C(CCC)CCC

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C5=CN(C=N5)C(CCC)CCC

InChI

InChI=1S/C35H40N4O2/c1-5-11-27(12-6-2)38-22-31(36-24-38)30-16-10-17-32-34(30)37-33(13-7-3)39(32,4)23-25-18-20-26(21-19-25)28-14-8-9-15-29(28)35(40)41/h8-10,14-22,24,27H,5-7,11-13,23H2,1-4H3/p+1