1,2-dimethyl-3-(phenylmethyl)-5-(trifluoromethyl)-1,2-dihydrobenzimidazol-1-ium bromide

Systemtic Name: 1,2-dimethyl-3-(phenylmethyl)-5-(trifluoromethyl)-1,2-dihydrobenzimidazol-1-ium bromide Openeye Name: 3-benzyl-1,2-dimethyl-5-(trifluoromethyl)-1,2-dihydrobenzimidazol-1-ium bromide CAS Name: 1,2-dimethyl-3-(phenylmethyl)-5-(trifluoromethyl)-1,2-dihydrobenzimidazol-1-ium bromide IUPAC Name: 3-benzyl-1,2-dimethyl-5-(trifluoromethyl)-1,2-dihydrobenzimidazol-1-ium bromide Traditional Name: 3-benzyl-1,2-dimethyl-5-(trifluoromethyl)-1,2-dihydrobenzimidazol-1-ium bromide Formula: C17H18BrF3N2 MolecularWeight: 387.23743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1[NH+](C2=C(N1CC3=CC=CC=C3)C=C(C=C2)C(F)(F)F)C.[Br-]

Isomeric SMILES

CC1[NH+](C2=C(N1CC3=CC=CC=C3)C=C(C=C2)C(F)(F)F)C.[Br-]

InChI

InChI=1S/C17H17F3N2.BrH/c1-12-21(2)15-9-8-14(17(18,19)20)10-16(15)22(12)11-13-6-4-3-5-7-13;/h3-10,12H,11H2,1-2H3;1H