[4-methyl-2-(trifluoromethyl)imidazol-2-yl]methyl-triphenyl-phosphanium bromide

Systemtic Name: [4-methyl-2-(trifluoromethyl)imidazol-2-yl]methyl-triphenyl-phosphanium bromide Openeye Name: [4-methyl-2-(trifluoromethyl)imidazol-2-yl]methyl-triphenyl-phosphonium bromide CAS Name: [4-methyl-2-(trifluoromethyl)-2-imidazolyl]methyl-triphenylphosphonium bromide IUPAC Name: [4-methyl-2-(trifluoromethyl)imidazol-2-yl]methyl-triphenylphosphanium bromide Traditional Name: [4-methyl-2-(trifluoromethyl)imidazol-2-yl]methyl-triphenyl-phosphonium bromide Formula: C24H21BrF3N2P MolecularWeight: 505.309911

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(N=C1)(C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(F)(F)F.[Br-]

Isomeric SMILES

CC1=NC(N=C1)(C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(F)(F)F.[Br-]

InChI

InChI=1S/C24H21F3N2P.BrH/c1-19-17-28-23(29-19,24(25,26)27)18-30(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22;/h2-17H,18H2,1H3;1H/q+1;/p-1