3-[2-butyl-1-[dimethylcarbamoyl-(phenylmethyl)amino]benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid

Systemtic Name: 3-[2-butyl-1-[dimethylcarbamoyl-(phenylmethyl)amino]benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid Openeye Name: 3-[1-[benzyl(dimethylcarbamoyl)amino]-2-butyl-benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid CAS Name: 3-[2-butyl-1-[[dimethylamino(oxo)methyl]-(phenylmethyl)amino]-1-benzimidazol-1-iumyl]-2-methyl-6-phenylbenzoic acid IUPAC Name: 3-[1-[benzyl(dimethylcarbamoyl)amino]-2-butylbenzimidazol-1-ium-1-yl]-2-methyl-6-phenylbenzoic acid Traditional Name: 3-[1-[benzyl(dimethylcarbamoyl)amino]-2-butyl-benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid Formula: C35H37N4O3+ MolecularWeight: 561.69328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2[N+]1(C3=C(C(=C(C=C3)C4=CC=CC=C4)C(=O)O)C)N(CC5=CC=CC=C5)C(=O)N(C)C

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2[N+]1(C3=C(C(=C(C=C3)C4=CC=CC=C4)C(=O)O)C)N(CC5=CC=CC=C5)C(=O)N(C)C

InChI

InChI=1S/C35H36N4O3/c1-5-6-21-32-36-29-19-13-14-20-31(29)39(32,38(35(42)37(3)4)24-26-15-9-7-10-16-26)30-23-22-28(27-17-11-8-12-18-27)33(25(30)2)34(40)41/h7-20,22-23H,5-6,21,24H2,1-4H3/p+1