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

Systemtic Name: [2-methoxy-4-(2-pyridin-1-ium-1-ylethanoyl)phenyl] ethanoate bromide Openeye Name: [2-methoxy-4-(2-pyridin-1-ium-1-ylacetyl)phenyl] acetate bromide CAS Name: acetic acid [2-methoxy-4-[1-oxo-2-(1-pyridin-1-iumyl)ethyl]phenyl] ester bromide IUPAC Name: [2-methoxy-4-(2-pyridin-1-ium-1-ylacetyl)phenyl] acetate bromide Traditional Name: acetic acid [2-methoxy-4-(2-pyridin-1-ium-1-ylacetyl)phenyl] ester bromide Formula: C16H16BrNO4 MolecularWeight: 366.20654

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.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C16H16NO4.BrH/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;1H/q+1;/p-1