(2E)-2-(3-methyl-2H-imidazol-1-ium-1-ylidene)ethanenitrile bromide

Systemtic Name: (2E)-2-(3-methyl-2H-imidazol-1-ium-1-ylidene)ethanenitrile bromide Openeye Name: (2E)-2-(3-methyl-2H-imidazol-1-ium-1-ylidene)acetonitrile bromide CAS Name: (2E)-2-(3-methyl-2H-imidazol-1-ium-1-ylidene)acetonitrile bromide IUPAC Name: (2E)-2-(3-methyl-2H-imidazol-1-ium-1-ylidene)acetonitrile bromide Traditional Name: (2E)-2-(3-methyl-4-imidazolin-1-ium-1-ylidene)acetonitrile bromide Formula: C6H8BrN3 MolecularWeight: 202.05182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C[N+](=CC#N)C=C1.[Br-]

Isomeric SMILES

CN1C/[N+](=C/C#N)/C=C1.[Br-]

InChI

InChI=1S/C6H8N3.BrH/c1-8-4-5-9(6-8)3-2-7;/h3-5H,6H2,1H3;1H/q+1;/p-1/b9-3+;