3-[[2-ethyl-4-methyl-1-[3-(2-pyrrolidin-1-ylethyl)imidazol-4-yl]benzimidazol-1-ium-1-yl]methyl]-2-phenyl-benzoic acid

Systemtic Name: 3-[[2-ethyl-4-methyl-1-[3-(2-pyrrolidin-1-ylethyl)imidazol-4-yl]benzimidazol-1-ium-1-yl]methyl]-2-phenyl-benzoic acid Openeye Name: 3-[[2-ethyl-4-methyl-1-[3-(2-pyrrolidin-1-ylethyl)imidazol-4-yl]benzimidazol-1-ium-1-yl]methyl]-2-phenyl-benzoic acid CAS Name: 3-[[2-ethyl-4-methyl-1-[3-[2-(1-pyrrolidinyl)ethyl]-4-imidazolyl]-1-benzimidazol-1-iumyl]methyl]-2-phenylbenzoic acid IUPAC Name: 3-[[2-ethyl-4-methyl-1-[3-(2-pyrrolidin-1-ylethyl)imidazol-4-yl]benzimidazol-1-ium-1-yl]methyl]-2-phenylbenzoic acid Traditional Name: 3-[[2-ethyl-4-methyl-1-[3-(2-pyrrolidinoethyl)imidazol-4-yl]benzimidazol-1-ium-1-yl]methyl]-2-phenyl-benzoic acid Formula: C33H36N5O2+ MolecularWeight: 534.67124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC=C2[N+]1(CC3=CC=CC(=C3C4=CC=CC=C4)C(=O)O)C5=CN=CN5CCN6CCCC6)C

Isomeric SMILES

CCC1=NC2=C(C=CC=C2[N+]1(CC3=CC=CC(=C3C4=CC=CC=C4)C(=O)O)C5=CN=CN5CCN6CCCC6)C

InChI

InChI=1S/C33H35N5O2/c1-3-29-35-32-24(2)11-9-16-28(32)38(29,30-21-34-23-37(30)20-19-36-17-7-8-18-36)22-26-14-10-15-27(33(39)40)31(26)25-12-5-4-6-13-25/h4-6,9-16,21,23H,3,7-8,17-20,22H2,1-2H3/p+1