methyl 2-pyridin-1-ium-1-ylpropanoate

Systemtic Name: methyl 2-pyridin-1-ium-1-ylpropanoate Openeye Name: methyl 2-pyridin-1-ium-1-ylpropanoate CAS Name: 2-(1-pyridin-1-iumyl)propanoic acid methyl ester IUPAC Name: methyl 2-pyridin-1-ium-1-ylpropanoate Traditional Name: 2-pyridin-1-ium-1-ylpropionic acid methyl ester Formula: C9H12NO2+ MolecularWeight: 166.19708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12NO2/c1-8(9(11)12-2)10-6-4-3-5-7-10/h3-8H,1-2H3/q+1