2-(3-methylimidazol-3-ium-1-yl)ethanenitrile bromide

Systemtic Name: 2-(3-methylimidazol-3-ium-1-yl)ethanenitrile bromide Openeye Name: 2-(3-methylimidazol-3-ium-1-yl)acetonitrile bromide CAS Name: 2-(3-methyl-1-imidazol-3-iumyl)acetonitrile bromide IUPAC Name: 2-(3-methylimidazol-3-ium-1-yl)acetonitrile bromide Traditional Name: 2-(3-methylimidazol-3-ium-1-yl)acetonitrile bromide Formula: C6H8BrN3 MolecularWeight: 202.05182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CC#N.[Br-]

Isomeric SMILES

C[N+]1=CN(C=C1)CC#N.[Br-]

InChI

InChI=1S/C6H8N3.BrH/c1-8-4-5-9(6-8)3-2-7;/h4-6H,3H2,1H3;1H/q+1;/p-1