3-(4-azaniumylpiperidin-1-yl)carbonyl-2,5,6-tris(fluoranyl)phenolate

Systemtic Name: 3-(4-azaniumylpiperidin-1-yl)carbonyl-2,5,6-tris(fluoranyl)phenolate Openeye Name: 3-(4-azaniumylpiperidine-1-carbonyl)-2,5,6-trifluoro-phenolate CAS Name: 3-[(4-ammonio-1-piperidinyl)-oxomethyl]-2,5,6-trifluorophenolate IUPAC Name: 3-(4-azaniumylpiperidine-1-carbonyl)-2,5,6-trifluorophenolate Traditional Name: 3-(4-ammoniopiperidine-1-carbonyl)-2,5,6-trifluoro-phenolate Formula: C12H13F3N2O2 MolecularWeight: 274.23903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH3+])C(=O)C2=CC(=C(C(=C2F)[O-])F)F

Isomeric SMILES

C1CN(CCC1[NH3+])C(=O)C2=CC(=C(C(=C2F)[O-])F)F

InChI

InChI=1S/C12H13F3N2O2/c13-8-5-7(9(14)11(18)10(8)15)12(19)17-3-1-6(16)2-4-17/h5-6,18H,1-4,16H2