6-(4-fluorophenyl)-7-(1H-imidazol-5-yl)-1,3-dimethyl-1-(1-methylpyrrolidin-3-yl)benzimidazol-1-ium-2-one

Systemtic Name: 6-(4-fluorophenyl)-7-(1H-imidazol-5-yl)-1,3-dimethyl-1-(1-methylpyrrolidin-3-yl)benzimidazol-1-ium-2-one Openeye Name: 6-(4-fluorophenyl)-7-(1H-imidazol-5-yl)-1,3-dimethyl-1-(1-methylpyrrolidin-3-yl)benzimidazol-1-ium-2-one CAS Name: 6-(4-fluorophenyl)-7-(1H-imidazol-5-yl)-1,3-dimethyl-1-(1-methyl-3-pyrrolidinyl)-2-benzimidazol-1-iumone IUPAC Name: 6-(4-fluorophenyl)-7-(1H-imidazol-5-yl)-1,3-dimethyl-1-(1-methylpyrrolidin-3-yl)benzimidazol-1-ium-2-one Traditional Name: 6-(4-fluorophenyl)-7-(1H-imidazol-5-yl)-1,3-dimethyl-1-(1-methylpyrrolidin-3-yl)benzimidazol-1-ium-2-one Formula: C23H25FN5O+ MolecularWeight: 406.475903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C1)[N+]2(C3=C(C=CC(=C3C4=CN=CN4)C5=CC=C(C=C5)F)N(C2=O)C)C

Isomeric SMILES

CN1CCC(C1)[N+]2(C3=C(C=CC(=C3C4=CN=CN4)C5=CC=C(C=C5)F)N(C2=O)C)C

InChI

InChI=1S/C23H25FN5O/c1-27-11-10-17(13-27)29(3)22-20(28(2)23(29)30)9-8-18(15-4-6-16(24)7-5-15)21(22)19-12-25-14-26-19/h4-9,12,14,17H,10-11,13H2,1-3H3,(H,25,26)/q+1