2-(2-pyridin-1-ium-1-ylethanoyl)pyridine-4-carbonitrile iodide

Systemtic Name: 2-(2-pyridin-1-ium-1-ylethanoyl)pyridine-4-carbonitrile iodide Openeye Name: 2-(2-pyridin-1-ium-1-ylacetyl)pyridine-4-carbonitrile iodide CAS Name: 2-[1-oxo-2-(1-pyridin-1-iumyl)ethyl]-4-pyridinecarbonitrile iodide IUPAC Name: 2-(2-pyridin-1-ium-1-ylacetyl)pyridine-4-carbonitrile iodide Traditional Name: 2-(2-pyridin-1-ium-1-ylacetyl)isonicotinonitrile iodide Formula: C13H10IN3O MolecularWeight: 351.14247

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC(=O)C2=NC=CC(=C2)C#N.[I-]

Isomeric SMILES

C1=CC=[N+](C=C1)CC(=O)C2=NC=CC(=C2)C#N.[I-]

InChI

InChI=1S/C13H10N3O.HI/c14-9-11-4-5-15-12(8-11)13(17)10-16-6-2-1-3-7-16;/h1-8H,10H2;1H/q+1;/p-1