1-(phenylmethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]benzimidazol-1-ium bromide

Systemtic Name: 1-(phenylmethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]benzimidazol-1-ium bromide Openeye Name: 1-benzyl-3-[[4-(trifluoromethyl)phenyl]methyl]benzimidazol-1-ium bromide CAS Name: 1-(phenylmethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]benzimidazol-1-ium bromide IUPAC Name: 1-benzyl-3-[[4-(trifluoromethyl)phenyl]methyl]benzimidazol-1-ium bromide Traditional Name: 1-benzyl-3-[4-(trifluoromethyl)benzyl]benzimidazol-1-ium bromide Formula: C22H18BrF3N2 MolecularWeight: 447.29093

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)C(F)(F)F.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)C(F)(F)F.[Br-]

InChI

InChI=1S/C22H18F3N2.BrH/c23-22(24,25)19-12-10-18(11-13-19)15-27-16-26(14-17-6-2-1-3-7-17)20-8-4-5-9-21(20)27;/h1-13,16H,14-15H2;1H/q+1;/p-1