3-[[3-(bromomethyl)-5-tert-butyl-phenyl]methyl]-1H-imidazol-3-ium bromide

Systemtic Name: 3-[[3-(bromomethyl)-5-tert-butyl-phenyl]methyl]-1H-imidazol-3-ium bromide Openeye Name: 3-[[3-(bromomethyl)-5-tert-butyl-phenyl]methyl]-1H-imidazol-3-ium bromide CAS Name: 3-[[3-(bromomethyl)-5-tert-butylphenyl]methyl]-1H-imidazol-3-ium bromide IUPAC Name: 3-[[3-(bromomethyl)-5-tert-butylphenyl]methyl]-1H-imidazol-3-ium bromide Traditional Name: 3-[3-(bromomethyl)-5-tert-butyl-benzyl]-1H-imidazol-3-ium bromide Formula: C15H20Br2N2 MolecularWeight: 388.1407

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)CBr)C[N+]2=CNC=C2.[Br-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)CBr)C[N+]2=CNC=C2.[Br-]

InChI

InChI=1S/C15H19BrN2.BrH/c1-15(2,3)14-7-12(9-16)6-13(8-14)10-18-5-4-17-11-18;/h4-8,11H,9-10H2,1-3H3;1H