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

Systemtic Name: 2-[4-[[1-(1-hexylimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[1-(1-hexylimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[1-(1-hexyl-2-imidazolyl)-2-propyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[1-(1-hexylimidazol-2-yl)-2-propylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[1-(1-hexylimidazol-2-yl)-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:

CCCCCCN1C=CN=C1[N+]2(C3=CC=CC=C3N=C2CCC)CC4=CC=C(C=C4)C5=CC=CC=C5C(=O)O

Isomeric SMILES

CCCCCCN1C=CN=C1[N+]2(C3=CC=CC=C3N=C2CCC)CC4=CC=C(C=C4)C5=CC=CC=C5C(=O)O

InChI

InChI=1S/C33H36N4O2/c1-3-5-6-11-22-36-23-21-34-33(36)37(30-16-10-9-15-29(30)35-31(37)12-4-2)24-25-17-19-26(20-18-25)27-13-7-8-14-28(27)32(38)39/h7-10,13-21,23H,3-6,11-12,22,24H2,1-2H3/p+1