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

Systemtic Name: 2-[4-[[1-(5-fluoranyl-1-methyl-benzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[1-(5-fluoro-1-methyl-benzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[1-(5-fluoro-1-methyl-2-benzimidazolyl)-2-propyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[1-(5-fluoro-1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[1-(5-fluoro-1-methyl-benzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Formula: C32H28FN4O2+ MolecularWeight: 519.588723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C5=NC6=C(N5C)C=CC(=C6)F

Isomeric SMILES

CCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C5=NC6=C(N5C)C=CC(=C6)F

InChI

InChI=1S/C32H27FN4O2/c1-3-8-30-34-26-11-6-7-12-29(26)37(30,32-35-27-19-23(33)17-18-28(27)36(32)2)20-21-13-15-22(16-14-21)24-9-4-5-10-25(24)31(38)39/h4-7,9-19H,3,8,20H2,1-2H3/p+1