[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-[4-(2-fluorophenyl)piperazino]-2-keto-ethyl] ester Formula: C18H18FN3O4 MolecularWeight: 359.351623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C(=O)COC(=O)C3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C(=O)COC(=O)C3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C18H18FN3O4/c19-14-5-1-2-6-15(14)20-9-11-21(12-10-20)17(23)13-26-18(24)16-7-3-4-8-22(16)25/h1-8H,9-13H2