[2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-[benzyl(methyl)amino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-[methyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(methyl)amino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-[benzyl(methyl)amino]-2-keto-ethyl] ester Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC=[N+](C=C2)[O-]

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC=[N+](C=C2)[O-]

InChI

InChI=1S/C16H16N2O4/c1-17(11-13-5-3-2-4-6-13)15(19)12-22-16(20)14-7-9-18(21)10-8-14/h2-10H,11-12H2,1H3