3-[2-[3-(3-fluoranyl-4-phenyl-phenyl)carbonylpiperidin-1-yl]-2-oxidanylidene-ethyl]-1,2,3-oxadiazol-3-ium-5-olate

Systemtic Name: 3-[2-[3-(3-fluoranyl-4-phenyl-phenyl)carbonylpiperidin-1-yl]-2-oxidanylidene-ethyl]-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 3-[2-[3-(3-fluoro-4-phenyl-benzoyl)-1-piperidyl]-2-oxo-ethyl]oxadiazol-3-ium-5-olate CAS Name: 3-[2-[3-[(3-fluoro-4-phenylphenyl)-oxomethyl]-1-piperidinyl]-2-oxoethyl]-5-oxadiazol-3-iumolate IUPAC Name: 3-[2-[3-(3-fluoro-4-phenylbenzoyl)piperidin-1-yl]-2-oxoethyl]oxadiazol-3-ium-5-olate Traditional Name: 3-[2-[3-(3-fluoro-4-phenyl-benzoyl)piperidino]-2-keto-ethyl]oxadiazol-3-ium-5-olate Formula: C22H20FN3O4 MolecularWeight: 409.410303

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C[N+]2=NOC(=C2)[O-])C(=O)C3=CC(=C(C=C3)C4=CC=CC=C4)F

Isomeric SMILES

C1CC(CN(C1)C(=O)C[N+]2=NOC(=C2)[O-])C(=O)C3=CC(=C(C=C3)C4=CC=CC=C4)F

InChI

InChI=1S/C22H20FN3O4/c23-19-11-16(8-9-18(19)15-5-2-1-3-6-15)22(29)17-7-4-10-25(12-17)20(27)13-26-14-21(28)30-24-26/h1-3,5-6,8-9,11,14,17H,4,7,10,12-13H2