2,3,6-tris(fluoranyl)-5-[[(3R)-piperidin-1-ium-3-yl]methylcarbamoyl]phenolate

Systemtic Name: 2,3,6-tris(fluoranyl)-5-[[(3R)-piperidin-1-ium-3-yl]methylcarbamoyl]phenolate Openeye Name: 2,3,6-trifluoro-5-[[(3R)-piperidin-1-ium-3-yl]methylcarbamoyl]phenolate CAS Name: 2,3,6-trifluoro-5-[oxo-[[(3R)-3-piperidin-1-iumyl]methylamino]methyl]phenolate IUPAC Name: 2,3,6-trifluoro-5-[[(3R)-piperidin-1-ium-3-yl]methylcarbamoyl]phenolate Traditional Name: 2,3,6-trifluoro-5-[[(3R)-piperidin-1-ium-3-yl]methylcarbamoyl]phenolate Formula: C13H15F3N2O2 MolecularWeight: 288.26561

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)CNC(=O)C2=CC(=C(C(=C2F)[O-])F)F

Isomeric SMILES

C1C[C@@H](C[NH2+]C1)CNC(=O)C2=CC(=C(C(=C2F)[O-])F)F

InChI

InChI=1S/C13H15F3N2O2/c14-9-4-8(10(15)12(19)11(9)16)13(20)18-6-7-2-1-3-17-5-7/h4,7,17,19H,1-3,5-6H2,(H,18,20)/t7-/m0/s1