1-(3-hexadecylimidazol-1-ium-1-yl)propan-2-one bromide

Systemtic Name: 1-(3-hexadecylimidazol-1-ium-1-yl)propan-2-one bromide Openeye Name: 1-(3-hexadecylimidazol-1-ium-1-yl)propan-2-one bromide CAS Name: 1-(3-hexadecyl-1-imidazol-1-iumyl)-2-propanone bromide IUPAC Name: 1-(3-hexadecylimidazol-1-ium-1-yl)propan-2-one bromide Traditional Name: 1-(3-cetylimidazol-1-ium-1-yl)acetone bromide Formula: C22H41BrN2O MolecularWeight: 429.47774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C=C[N+](=C1)CC(=O)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C=C[N+](=C1)CC(=O)C.[Br-]

InChI

InChI=1S/C22H41N2O.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-18-19-24(21-23)20-22(2)25;/h18-19,21H,3-17,20H2,1-2H3;1H/q+1;/p-1