(5-ethanoyl-2-methoxy-phenyl)methyl 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C16H15NO5 MolecularWeight: 301.294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=CC=[N+](C=C2)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=CC=[N+](C=C2)[O-]

InChI

InChI=1S/C16H15NO5/c1-11(18)13-3-4-15(21-2)14(9-13)10-22-16(19)12-5-7-17(20)8-6-12/h3-9H,10H2,1-2H3