3-(4-cyanopyridin-1-ium-1-yl)propanoate

Systemtic Name: 3-(4-cyanopyridin-1-ium-1-yl)propanoate Openeye Name: 3-(4-cyanopyridin-1-ium-1-yl)propanoate CAS Name: 3-(4-cyano-1-pyridin-1-iumyl)propanoate IUPAC Name: 3-(4-cyanopyridin-1-ium-1-yl)propanoate Traditional Name: 3-(4-cyanopyridin-1-ium-1-yl)propionate Formula: C9H8N2O2 MolecularWeight: 176.17202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=CC=C1C#N)CCC(=O)[O-]

Isomeric SMILES

C1=C[N+](=CC=C1C#N)CCC(=O)[O-]

InChI

InChI=1S/C9H8N2O2/c10-7-8-1-4-11(5-2-8)6-3-9(12)13/h1-2,4-5H,3,6H2