2,3,6-tris(fluoranyl)-5-(piperidin-1-ium-4-ylmethylcarbamoyl)phenolate

Systemtic Name: 2,3,6-tris(fluoranyl)-5-(piperidin-1-ium-4-ylmethylcarbamoyl)phenolate Openeye Name: 2,3,6-trifluoro-5-(piperidin-1-ium-4-ylmethylcarbamoyl)phenolate CAS Name: 2,3,6-trifluoro-5-[oxo-(4-piperidin-1-iumylmethylamino)methyl]phenolate IUPAC Name: 2,3,6-trifluoro-5-(piperidin-1-ium-4-ylmethylcarbamoyl)phenolate Traditional Name: 2,3,6-trifluoro-5-(piperidin-1-ium-4-ylmethylcarbamoyl)phenolate Formula: C13H15F3N2O2 MolecularWeight: 288.26561

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1CNC(=O)C2=CC(=C(C(=C2F)[O-])F)F

Isomeric SMILES

C1C[NH2+]CCC1CNC(=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)18-6-7-1-3-17-4-2-7/h5,7,17,19H,1-4,6H2,(H,18,20)