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

Systemtic Name: (2S,4R)-2-(1-methylpyrrol-2-yl)-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2S,4R)-2-(1-methylpyrrol-2-yl)thiazolidin-3-ium-4-carboxylate CAS Name: (2S,4R)-2-(1-methyl-2-pyrrolyl)-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2S,4R)-2-(1-methylpyrrol-2-yl)-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2S,4R)-2-(1-methylpyrrol-2-yl)thiazolidin-3-ium-4-carboxylate Formula: C9H12N2O2S MolecularWeight: 212.26878

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2[NH2+]C(CS2)C(=O)[O-]

Isomeric SMILES

CN1C=CC=C1[C@H]2[NH2+][C@@H](CS2)C(=O)[O-]

InChI

InChI=1S/C9H12N2O2S/c1-11-4-2-3-7(11)8-10-6(5-14-8)9(12)13/h2-4,6,8,10H,5H2,1H3,(H,12,13)/t6-,8-/m0/s1