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

Systemtic Name: 2,3,6-tris(fluoranyl)-5-[[(3S)-piperidin-1-ium-3-yl]carbamoyl]phenolate Openeye Name: 2,3,6-trifluoro-5-[[(3S)-piperidin-1-ium-3-yl]carbamoyl]phenolate CAS Name: 2,3,6-trifluoro-5-[oxo-[[(3S)-3-piperidin-1-iumyl]amino]methyl]phenolate IUPAC Name: 2,3,6-trifluoro-5-[[(3S)-piperidin-1-ium-3-yl]carbamoyl]phenolate Traditional Name: 2,3,6-trifluoro-5-[[(3S)-piperidin-1-ium-3-yl]carbamoyl]phenolate Formula: C12H13F3N2O2 MolecularWeight: 274.23903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13F3N2O2/c13-8-4-7(9(14)11(18)10(8)15)12(19)17-6-2-1-3-16-5-6/h4,6,16,18H,1-3,5H2,(H,17,19)/t6-/m0/s1