methyl 4-(3-cyanopyridin-1-ium-1-yl)butanoate iodide

Systemtic Name: methyl 4-(3-cyanopyridin-1-ium-1-yl)butanoate iodide Openeye Name: methyl 4-(3-cyanopyridin-1-ium-1-yl)butanoate iodide CAS Name: 4-(3-cyano-1-pyridin-1-iumyl)butanoic acid methyl ester iodide IUPAC Name: methyl 4-(3-cyanopyridin-1-ium-1-yl)butanoate iodide Traditional Name: 4-(3-cyanopyridin-1-ium-1-yl)butyric acid methyl ester iodide Formula: C11H13IN2O2 MolecularWeight: 332.13759

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC[N+]1=CC=CC(=C1)C#N.[I-]

Isomeric SMILES

COC(=O)CCC[N+]1=CC=CC(=C1)C#N.[I-]

InChI

InChI=1S/C11H13N2O2.HI/c1-15-11(14)5-3-7-13-6-2-4-10(8-12)9-13;/h2,4,6,9H,3,5,7H2,1H3;1H/q+1;/p-1