2-(3-methylimidazol-3-ium-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanone bromide

Systemtic Name: 2-(3-methylimidazol-3-ium-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanone bromide Openeye Name: 2-(3-methylimidazol-3-ium-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanone bromide CAS Name: 2-(3-methyl-1-imidazol-3-iumyl)-1-[2-(trifluoromethyl)phenyl]ethanone bromide IUPAC Name: 2-(3-methylimidazol-3-ium-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanone bromide Traditional Name: 2-(3-methylimidazol-3-ium-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanone bromide Formula: C13H12BrF3N2O MolecularWeight: 349.14639

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CC(=O)C2=CC=CC=C2C(F)(F)F.[Br-]

Isomeric SMILES

C[N+]1=CN(C=C1)CC(=O)C2=CC=CC=C2C(F)(F)F.[Br-]

InChI

InChI=1S/C13H12F3N2O.BrH/c1-17-6-7-18(9-17)8-12(19)10-4-2-3-5-11(10)13(14,15)16;/h2-7,9H,8H2,1H3;1H/q+1;/p-1