hexyl 1-oxidanidylpyridin-1-ium-3-carboxylate

Systemtic Name: hexyl 1-oxidanidylpyridin-1-ium-3-carboxylate Openeye Name: hexyl 1-oxidopyridin-1-ium-3-carboxylate CAS Name: 1-oxido-3-pyridin-1-iumcarboxylic acid hexyl ester IUPAC Name: hexyl 1-oxidopyridin-1-ium-3-carboxylate Traditional Name: 1-oxidopyridin-1-ium-3-carboxylic acid hexyl ester Formula: C12H17NO3 MolecularWeight: 223.26828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=C[N+](=CC=C1)[O-]

Isomeric SMILES

CCCCCCOC(=O)C1=C[N+](=CC=C1)[O-]

InChI

InChI=1S/C12H17NO3/c1-2-3-4-5-9-16-12(14)11-7-6-8-13(15)10-11/h6-8,10H,2-5,9H2,1H3