diethyl 2-pyridin-1-ium-1-ylpropanedioate

Systemtic Name: diethyl 2-pyridin-1-ium-1-ylpropanedioate Openeye Name: diethyl 2-pyridin-1-ium-1-ylpropanedioate CAS Name: 2-(1-pyridin-1-iumyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-pyridin-1-ium-1-ylpropanedioate Traditional Name: 2-pyridin-1-ium-1-ylmalonic acid diethyl ester Formula: C12H16NO4+ MolecularWeight: 238.25974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16NO4/c1-3-16-11(14)10(12(15)17-4-2)13-8-6-5-7-9-13/h5-10H,3-4H2,1-2H3/q+1