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

Systemtic Name: (2S,4R)-2-(1-methylpyrazol-4-yl)-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2S,4R)-2-(1-methylpyrazol-4-yl)thiazolidin-3-ium-4-carboxylate CAS Name: (2S,4R)-2-(1-methyl-4-pyrazolyl)-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2S,4R)-2-(1-methylpyrazol-4-yl)-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2S,4R)-2-(1-methylpyrazol-4-yl)thiazolidin-3-ium-4-carboxylate Formula: C8H11N3O2S MolecularWeight: 213.25684

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C2[NH2+]C(CS2)C(=O)[O-]

Isomeric SMILES

CN1C=C(C=N1)[C@H]2[NH2+][C@@H](CS2)C(=O)[O-]

InChI

InChI=1S/C8H11N3O2S/c1-11-3-5(2-9-11)7-10-6(4-14-7)8(12)13/h2-3,6-7,10H,4H2,1H3,(H,12,13)/t6-,7-/m0/s1