2-[4-[[2-butyl-1-(3-imidazol-1-ylpropoxy)-7-methyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[2-butyl-1-(3-imidazol-1-ylpropoxy)-7-methyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-1-(3-imidazol-1-ylpropoxy)-7-methyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-1-[3-(1-imidazolyl)propoxy]-7-methyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-1-(3-imidazol-1-ylpropoxy)-7-methylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-1-(3-imidazol-1-ylpropoxy)-7-methyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Formula: C32H35N4O3+ MolecularWeight: 523.6453

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC(=C2[N+]1(CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)OCCCN5C=CN=C5)C

Isomeric SMILES

CCCCC1=NC2=CC=CC(=C2[N+]1(CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)OCCCN5C=CN=C5)C

InChI

InChI=1S/C32H34N4O3/c1-3-4-13-30-34-29-12-7-9-24(2)31(29)36(30,39-21-8-19-35-20-18-33-23-35)22-25-14-16-26(17-15-25)27-10-5-6-11-28(27)32(37)38/h5-7,9-12,14-18,20,23H,3-4,8,13,19,21-22H2,1-2H3/p+1