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

Systemtic Name: ethyl 4-(3-cyanopyridin-1-ium-1-yl)butanoate Openeye Name: ethyl 4-(3-cyanopyridin-1-ium-1-yl)butanoate CAS Name: 4-(3-cyano-1-pyridin-1-iumyl)butanoic acid ethyl ester IUPAC Name: ethyl 4-(3-cyanopyridin-1-ium-1-yl)butanoate Traditional Name: 4-(3-cyanopyridin-1-ium-1-yl)butyric acid ethyl ester Formula: C12H15N2O2+ MolecularWeight: 219.2597

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N2O2/c1-2-16-12(15)6-4-8-14-7-3-5-11(9-13)10-14/h3,5,7,10H,2,4,6,8H2,1H3/q+1