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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15F3N2O2/c14-9-5-8(10(15)12(19)11(9)16)13(20)18-6-7-3-1-2-4-17-7/h5,7,17,19H,1-4,6H2,(H,18,20)/t7-/m1/s1