[(3S)-2-oxidanylideneoxolan-3-yl] 1-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxylate

Systemtic Name: [(3S)-2-oxidanylideneoxolan-3-yl] 1-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxylate Openeye Name: [(3S)-2-oxotetrahydrofuran-3-yl] 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxylate CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinecarboxylic acid [(3S)-2-oxo-3-oxolanyl] ester IUPAC Name: [(3S)-2-oxooxolan-3-yl] 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxylate Traditional Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]isonipecotic acid [(3S)-2-ketotetrahydrofuran-3-yl] ester Formula: C16H17ClF3N2O4+ MolecularWeight: 393.76539

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OC2CCOC2=O)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

Isomeric SMILES

C1COC(=O)[C@H]1OC(=O)C2CCN(CC2)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

InChI

InChI=1S/C16H16ClF3N2O4/c17-11-7-10(16(18,19)20)8-21-13(11)22-4-1-9(2-5-22)14(23)26-12-3-6-25-15(12)24/h7-9,12H,1-6H2/p+1/t12-/m0/s1