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

Systemtic Name: methyl 4-(3-cyanopyridin-1-ium-1-yl)butanoate Openeye Name: methyl 4-(3-cyanopyridin-1-ium-1-yl)butanoate CAS Name: 4-(3-cyano-1-pyridin-1-iumyl)butanoic acid methyl ester IUPAC Name: methyl 4-(3-cyanopyridin-1-ium-1-yl)butanoate Traditional Name: 4-(3-cyanopyridin-1-ium-1-yl)butyric acid methyl ester Formula: C11H13N2O2+ MolecularWeight: 205.23312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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