2-[4-[[2-butyl-1-(5-imidazol-1-ylpentoxy)-7-methyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[2-butyl-1-(5-imidazol-1-ylpentoxy)-7-methyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-1-(5-imidazol-1-ylpentoxy)-7-methyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-1-[5-(1-imidazolyl)pentoxy]-7-methyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-1-(5-imidazol-1-ylpentoxy)-7-methylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-1-(5-imidazol-1-ylpentoxy)-7-methyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Formula: C34H39N4O3+ MolecularWeight: 551.69846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC(=C2[N+]1(CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)OCCCCCN5C=CN=C5)C

Isomeric SMILES

CCCCC1=NC2=CC=CC(=C2[N+]1(CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)OCCCCCN5C=CN=C5)C

InChI

InChI=1S/C34H38N4O3/c1-3-4-15-32-36-31-14-10-11-26(2)33(31)38(32,41-23-9-5-8-21-37-22-20-35-25-37)24-27-16-18-28(19-17-27)29-12-6-7-13-30(29)34(39)40/h6-7,10-14,16-20,22,25H,3-5,8-9,15,21,23-24H2,1-2H3/p+1