(2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl) 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: (2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl) 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-oxo-1-phenyl-2-(1-piperidyl)ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-oxo-1-phenyl-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid (2-keto-1-phenyl-2-piperidino-ethyl) ester Formula: C19H20N2O4 MolecularWeight: 340.3731

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C19H20N2O4/c22-18(20-11-5-2-6-12-20)17(15-7-3-1-4-8-15)25-19(23)16-9-13-21(24)14-10-16/h1,3-4,7-10,13-14,17H,2,5-6,11-12H2