[3-[(1-oxidanidylpyridin-1-ium-4-yl)carbonyloxymethyl]phenyl]methyl 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [3-[(1-oxidanidylpyridin-1-ium-4-yl)carbonyloxymethyl]phenyl]methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [3-[(1-oxidopyridin-1-ium-4-carbonyl)oxymethyl]phenyl]methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [3-[[(1-oxido-4-pyridin-1-iumyl)-oxomethoxy]methyl]phenyl]methyl ester IUPAC Name: [3-[(1-oxidopyridin-1-ium-4-carbonyl)oxymethyl]phenyl]methyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [3-[(1-oxidopyridin-1-ium-4-carbonyl)oxymethyl]benzyl] ester Formula: C20H16N2O6 MolecularWeight: 380.35084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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