[(3S)-1-methylpiperidin-1-ium-3-yl] 2,3,4,5-tetrakis(fluoranyl)benzoate

Systemtic Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 2,3,4,5-tetrakis(fluoranyl)benzoate Openeye Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 2,3,4,5-tetrafluorobenzoate CAS Name: 2,3,4,5-tetrafluorobenzoic acid [(3S)-1-methyl-3-piperidin-1-iumyl] ester IUPAC Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 2,3,4,5-tetrafluorobenzoate Traditional Name: 2,3,4,5-tetrafluorobenzoic acid [(3S)-1-methylpiperidin-1-ium-3-yl] ester Formula: C13H14F4NO2+ MolecularWeight: 292.249373

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)OC(=O)C2=CC(=C(C(=C2F)F)F)F

Isomeric SMILES

C[NH+]1CCC[C@@H](C1)OC(=O)C2=CC(=C(C(=C2F)F)F)F

InChI

InChI=1S/C13H13F4NO2/c1-18-4-2-3-7(6-18)20-13(19)8-5-9(14)11(16)12(17)10(8)15/h5,7H,2-4,6H2,1H3/p+1/t7-/m0/s1