5-phenyl-6-(pyridin-1-ium-1-ylmethyl)pyrazine-2,3-dicarbonitrile bromide

Systemtic Name: 5-phenyl-6-(pyridin-1-ium-1-ylmethyl)pyrazine-2,3-dicarbonitrile bromide Openeye Name: 5-phenyl-6-(pyridin-1-ium-1-ylmethyl)pyrazine-2,3-dicarbonitrile bromide CAS Name: 5-phenyl-6-(1-pyridin-1-iumylmethyl)pyrazine-2,3-dicarbonitrile bromide IUPAC Name: 5-phenyl-6-(pyridin-1-ium-1-ylmethyl)pyrazine-2,3-dicarbonitrile bromide Traditional Name: 5-phenyl-6-(pyridin-1-ium-1-ylmethyl)pyrazine-2,3-dicarbonitrile bromide Formula: C18H12BrN5 MolecularWeight: 378.22538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(N=C2C[N+]3=CC=CC=C3)C#N)C#N.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(N=C2C[N+]3=CC=CC=C3)C#N)C#N.[Br-]

InChI

InChI=1S/C18H12N5.BrH/c19-11-15-16(12-20)22-18(14-7-3-1-4-8-14)17(21-15)13-23-9-5-2-6-10-23;/h1-10H,13H2;1H/q+1;/p-1