[3-[(1-oxidanidylpyridin-1-ium-2-yl)carbonyloxymethyl]phenyl]methyl 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [3-[(1-oxidanidylpyridin-1-ium-2-yl)carbonyloxymethyl]phenyl]methyl 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [3-[(1-oxidopyridin-1-ium-2-carbonyl)oxymethyl]phenyl]methyl 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [3-[[(1-oxido-2-pyridin-1-iumyl)-oxomethoxy]methyl]phenyl]methyl ester IUPAC Name: [3-[(1-oxidopyridin-1-ium-2-carbonyl)oxymethyl]phenyl]methyl 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [3-[(1-oxidopyridin-1-ium-2-carbonyl)oxymethyl]benzyl] ester Formula: C20H16N2O6 MolecularWeight: 380.35084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)C(=O)OCC2=CC(=CC=C2)COC(=O)C3=CC=CC=[N+]3[O-])[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)C(=O)OCC2=CC(=CC=C2)COC(=O)C3=CC=CC=[N+]3[O-])[O-]

InChI

InChI=1S/C20H16N2O6/c23-19(17-8-1-3-10-21(17)25)27-13-15-6-5-7-16(12-15)14-28-20(24)18-9-2-4-11-22(18)26/h1-12H,13-14H2