(2S,4S)-2-(1,3-benzodioxol-5-yl)-5,5-dimethyl-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: (2S,4S)-2-(1,3-benzodioxol-5-yl)-5,5-dimethyl-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2S,4S)-2-(1,3-benzodioxol-5-yl)-5,5-dimethyl-thiazolidin-3-ium-4-carboxylate CAS Name: (2S,4S)-2-(1,3-benzodioxol-5-yl)-5,5-dimethyl-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2S,4S)-2-(1,3-benzodioxol-5-yl)-5,5-dimethyl-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2S,4S)-2-(1,3-benzodioxol-5-yl)-5,5-dimethyl-thiazolidin-3-ium-4-carboxylate Formula: C13H15NO4S MolecularWeight: 281.3275

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C([NH2+]C(S1)C2=CC3=C(C=C2)OCO3)C(=O)[O-])C

Isomeric SMILES

CC1([C@@H]([NH2+][C@@H](S1)C2=CC3=C(C=C2)OCO3)C(=O)[O-])C

InChI

InChI=1S/C13H15NO4S/c1-13(2)10(12(15)16)14-11(19-13)7-3-4-8-9(5-7)18-6-17-8/h3-5,10-11,14H,6H2,1-2H3,(H,15,16)/t10-,11-/m0/s1