[4,5-dicyano-2-(2-oxidanylidene-2-pyridin-1-ium-1-yl-ethyl)pyrazol-3-yl]azanium bromide

Systemtic Name: [4,5-dicyano-2-(2-oxidanylidene-2-pyridin-1-ium-1-yl-ethyl)pyrazol-3-yl]azanium bromide Openeye Name: [4,5-dicyano-2-(2-oxo-2-pyridin-1-ium-1-yl-ethyl)pyrazol-3-yl]ammonium bromide CAS Name: [4,5-dicyano-2-[2-oxo-2-(1-pyridin-1-iumyl)ethyl]-3-pyrazolyl]ammonium bromide IUPAC Name: [4,5-dicyano-2-(2-oxo-2-pyridin-1-ium-1-ylethyl)pyrazol-3-yl]azanium bromide Traditional Name: [4,5-dicyano-2-(2-keto-2-pyridin-1-ium-1-yl-ethyl)pyrazol-3-yl]ammonium bromide Formula: C12H10BrN6O+ MolecularWeight: 334.1514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C(=O)CN2C(=C(C(=N2)C#N)C#N)[NH3+].[Br-]

Isomeric SMILES

C1=CC=[N+](C=C1)C(=O)CN2C(=C(C(=N2)C#N)C#N)[NH3+].[Br-]

InChI

InChI=1S/C12H9N6O.BrH/c13-6-9-10(7-14)16-18(12(9)15)8-11(19)17-4-2-1-3-5-17;/h1-5H,8,15H2;1H/q+1;