(2R,4S)-2-(1-phenylpyrazol-4-yl)-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: (2R,4S)-2-(1-phenylpyrazol-4-yl)-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2R,4S)-2-(1-phenylpyrazol-4-yl)thiazolidin-3-ium-4-carboxylate CAS Name: (2R,4S)-2-(1-phenyl-4-pyrazolyl)-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2R,4S)-2-(1-phenylpyrazol-4-yl)-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2R,4S)-2-(1-phenylpyrazol-4-yl)thiazolidin-3-ium-4-carboxylate Formula: C13H13N3O2S MolecularWeight: 275.32622

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH2+]C(S1)C2=CN(N=C2)C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O2S/c17-13(18)11-8-19-12(15-11)9-6-14-16(7-9)10-4-2-1-3-5-10/h1-7,11-12,15H,8H2,(H,17,18)/t11-,12-/m1/s1