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

Systemtic Name: 1,2-dimethyl-3-(phenylmethyl)-5-(trifluoromethyl)benzimidazol-1-ium bromide Openeye Name: 3-benzyl-1,2-dimethyl-5-(trifluoromethyl)benzimidazol-1-ium bromide CAS Name: 1,2-dimethyl-3-(phenylmethyl)-5-(trifluoromethyl)benzimidazol-1-ium bromide IUPAC Name: 3-benzyl-1,2-dimethyl-5-(trifluoromethyl)benzimidazol-1-ium bromide Traditional Name: 3-benzyl-1,2-dimethyl-5-(trifluoromethyl)benzimidazol-1-ium bromide Formula: C17H16BrF3N2 MolecularWeight: 385.22155

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16F3N2.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;/h3-10H,11H2,1-2H3;1H/q+1;/p-1