6-ethanoylpyridine-2-carbonitrile; pyridin-1-ium; iodide

Systemtic Name: 6-ethanoylpyridine-2-carbonitrile; pyridin-1-ium; iodide Openeye Name: 6-acetylpyridine-2-carbonitrile; pyridin-1-ium; iodide CAS Name: 6-acetyl-2-pyridinecarbonitrile; pyridin-1-ium; iodide IUPAC Name: 6-acetylpyridine-2-carbonitrile; pyridin-1-ium; iodide Traditional Name: 6-acetylpicolinonitrile; pyridin-1-ium; iodide Formula: C13H12IN3O MolecularWeight: 353.15835

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC(=N1)C#N.C1=CC=[NH+]C=C1.[I-]

Isomeric SMILES

CC(=O)C1=CC=CC(=N1)C#N.C1=CC=[NH+]C=C1.[I-]

InChI

InChI=1S/C8H6N2O.C5H5N.HI/c1-6(11)8-4-2-3-7(5-9)10-8;1-2-4-6-5-3-1;/h2-4H,1H3;1-5H;1H