1-methylpyridin-1-ium-3,4-dicarbonitrile bromide

Systemtic Name: 1-methylpyridin-1-ium-3,4-dicarbonitrile bromide Openeye Name: 1-methylpyridin-1-ium-3,4-dicarbonitrile bromide CAS Name: 1-methylpyridin-1-ium-3,4-dicarbonitrile bromide IUPAC Name: 1-methylpyridin-1-ium-3,4-dicarbonitrile bromide Traditional Name: 1-methylpyridin-1-ium-3,4-dicarbonitrile bromide Formula: C8H6BrN3 MolecularWeight: 224.05734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6N3.BrH/c1-11-3-2-7(4-9)8(5-10)6-11;/h2-3,6H,1H3;1H/q+1;/p-1