3-[3-azaniumylpropyl(methyl)carbamoyl]-2,5,6-tris(fluoranyl)phenolate

Systemtic Name: 3-[3-azaniumylpropyl(methyl)carbamoyl]-2,5,6-tris(fluoranyl)phenolate Openeye Name: 3-[3-azaniumylpropyl(methyl)carbamoyl]-2,5,6-trifluoro-phenolate CAS Name: 3-[[3-ammoniopropyl(methyl)amino]-oxomethyl]-2,5,6-trifluorophenolate IUPAC Name: 3-[3-azaniumylpropyl(methyl)carbamoyl]-2,5,6-trifluorophenolate Traditional Name: 3-[3-ammoniopropyl(methyl)carbamoyl]-2,5,6-trifluoro-phenolate Formula: C11H13F3N2O2 MolecularWeight: 262.22833

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC[NH3+])C(=O)C1=CC(=C(C(=C1F)[O-])F)F

Isomeric SMILES

CN(CCC[NH3+])C(=O)C1=CC(=C(C(=C1F)[O-])F)F

InChI

InChI=1S/C11H13F3N2O2/c1-16(4-2-3-15)11(18)6-5-7(12)9(14)10(17)8(6)13/h5,17H,2-4,15H2,1H3