[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 1-oxidanidylpyridin-1-ium-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 1-oxidanidylpyridin-1-ium-3-carboxylate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 1-oxidopyridin-1-ium-3-carboxylate CAS Name: 1-oxido-3-pyridin-1-iumcarboxylic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 1-oxidopyridin-1-ium-3-carboxylate Traditional Name: 1-oxidopyridin-1-ium-3-carboxylic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C18H19N3O4/c22-17(14-25-18(23)15-5-4-8-21(24)13-15)20-11-9-19(10-12-20)16-6-2-1-3-7-16/h1-8,13H,9-12,14H2