(2R,4S)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: (2R,4S)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2R,4S)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]thiazolidin-3-ium-4-carboxylate CAS Name: (2R,4S)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2R,4S)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2R,4S)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]thiazolidin-3-ium-4-carboxylate Formula: C13H12FN3O2S MolecularWeight: 293.316683

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH2+]C(S1)C2=C(NN=C2)C3=CC=C(C=C3)F)C(=O)[O-]

Isomeric SMILES

C1[C@@H]([NH2+][C@H](S1)C2=C(NN=C2)C3=CC=C(C=C3)F)C(=O)[O-]

InChI

InChI=1S/C13H12FN3O2S/c14-8-3-1-7(2-4-8)11-9(5-15-17-11)12-16-10(6-20-12)13(18)19/h1-5,10,12,16H,6H2,(H,15,17)(H,18,19)/t10-,12-/m1/s1