2-(2-pentadecyl-1-phenethyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol bromide

Systemtic Name: 2-(2-pentadecyl-1-phenethyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol bromide Openeye Name: 2-(2-pentadecyl-1-phenethyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol bromide CAS Name: 2-(2-pentadecyl-1-phenethyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol bromide IUPAC Name: 2-(2-pentadecyl-1-phenethyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol bromide Traditional Name: 2-(2-pentadecyl-1-phenethyl-2-imidazolin-1-ium-1-yl)ethanol bromide Formula: C28H49BrN2O MolecularWeight: 509.60546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=NCC[N+]1(CCC2=CC=CC=C2)CCO.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCC1=NCC[N+]1(CCC2=CC=CC=C2)CCO.[Br-]

InChI

InChI=1S/C28H49N2O.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-28-29-22-24-30(28,25-26-31)23-21-27-18-15-14-16-19-27;/h14-16,18-19,31H,2-13,17,20-26H2,1H3;1H/q+1;/p-1