5,5-dimethyl-2-oxidanylidene-4-(pyridin-1-ium-1-ylmethyl)furan-3-carbonitrile iodide

Systemtic Name: 5,5-dimethyl-2-oxidanylidene-4-(pyridin-1-ium-1-ylmethyl)furan-3-carbonitrile iodide Openeye Name: 5,5-dimethyl-2-oxo-4-(pyridin-1-ium-1-ylmethyl)furan-3-carbonitrile iodide CAS Name: 5,5-dimethyl-2-oxo-4-(1-pyridin-1-iumylmethyl)-3-furancarbonitrile iodide IUPAC Name: 5,5-dimethyl-2-oxo-4-(pyridin-1-ium-1-ylmethyl)furan-3-carbonitrile iodide Traditional Name: 2-keto-5,5-dimethyl-4-(pyridin-1-ium-1-ylmethyl)-3-furonitrile iodide Formula: C13H13IN2O2 MolecularWeight: 356.15899

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C(=O)O1)C#N)C[N+]2=CC=CC=C2)C.[I-]

Isomeric SMILES

CC1(C(=C(C(=O)O1)C#N)C[N+]2=CC=CC=C2)C.[I-]

InChI

InChI=1S/C13H13N2O2.HI/c1-13(2)11(10(8-14)12(16)17-13)9-15-6-4-3-5-7-15;/h3-7H,9H2,1-2H3;1H/q+1;/p-1