5,6-dimethyl-1-(phenylmethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]benzimidazol-1-ium

Systemtic Name: 5,6-dimethyl-1-(phenylmethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]benzimidazol-1-ium Openeye Name: 1-benzyl-5,6-dimethyl-3-[[4-(trifluoromethyl)phenyl]methyl]benzimidazol-1-ium CAS Name: 5,6-dimethyl-1-(phenylmethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]benzimidazol-1-ium IUPAC Name: 1-benzyl-5,6-dimethyl-3-[[4-(trifluoromethyl)phenyl]methyl]benzimidazol-1-ium Traditional Name: 1-benzyl-5,6-dimethyl-3-[4-(trifluoromethyl)benzyl]benzimidazol-1-ium Formula: C24H22F3N2+ MolecularWeight: 395.44009

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)[N+](=CN2CC3=CC=C(C=C3)C(F)(F)F)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1C)[N+](=CN2CC3=CC=C(C=C3)C(F)(F)F)CC4=CC=CC=C4

InChI

InChI=1S/C24H22F3N2/c1-17-12-22-23(13-18(17)2)29(16-28(22)14-19-6-4-3-5-7-19)15-20-8-10-21(11-9-20)24(25,26)27/h3-13,16H,14-15H2,1-2H3/q+1