[2-methoxy-4-(2-pyridin-1-ium-1-ylethanoyl)phenyl] ethanoate

Systemtic Name: [2-methoxy-4-(2-pyridin-1-ium-1-ylethanoyl)phenyl] ethanoate Openeye Name: [2-methoxy-4-(2-pyridin-1-ium-1-ylacetyl)phenyl] acetate CAS Name: acetic acid [2-methoxy-4-[1-oxo-2-(1-pyridin-1-iumyl)ethyl]phenyl] ester IUPAC Name: [2-methoxy-4-(2-pyridin-1-ium-1-ylacetyl)phenyl] acetate Traditional Name: acetic acid [2-methoxy-4-(2-pyridin-1-ium-1-ylacetyl)phenyl] ester Formula: C16H16NO4+ MolecularWeight: 286.30254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C(=O)C[N+]2=CC=CC=C2)OC

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C(=O)C[N+]2=CC=CC=C2)OC

InChI

InChI=1S/C16H16NO4/c1-12(18)21-15-7-6-13(10-16(15)20-2)14(19)11-17-8-4-3-5-9-17/h3-10H,11H2,1-2H3/q+1