propyl pyridin-1-ium-3-carboxylate

Systemtic Name: propyl pyridin-1-ium-3-carboxylate Openeye Name: propyl pyridin-1-ium-3-carboxylate CAS Name: 3-pyridin-1-iumcarboxylic acid propyl ester IUPAC Name: propyl pyridin-1-ium-3-carboxylate Traditional Name: pyridin-1-ium-3-carboxylic acid propyl ester Formula: C9H12NO2+ MolecularWeight: 166.19708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C[NH+]=CC=C1

Isomeric SMILES

CCCOC(=O)C1=C[NH+]=CC=C1

InChI

InChI=1S/C9H11NO2/c1-2-6-12-9(11)8-4-3-5-10-7-8/h3-5,7H,2,6H2,1H3/p+1