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

Systemtic Name: (2S,4S)-5,5-dimethyl-2-(4-nitrophenyl)-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2S,4S)-5,5-dimethyl-2-(4-nitrophenyl)thiazolidin-3-ium-4-carboxylate CAS Name: (2S,4S)-5,5-dimethyl-2-(4-nitrophenyl)-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2S,4S)-5,5-dimethyl-2-(4-nitrophenyl)-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2S,4S)-5,5-dimethyl-2-(4-nitrophenyl)thiazolidin-3-ium-4-carboxylate Formula: C12H14N2O4S MolecularWeight: 282.31556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C([NH2+]C(S1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)[O-])C

Isomeric SMILES

CC1([C@@H]([NH2+][C@@H](S1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)[O-])C

InChI

InChI=1S/C12H14N2O4S/c1-12(2)9(11(15)16)13-10(19-12)7-3-5-8(6-4-7)14(17)18/h3-6,9-10,13H,1-2H3,(H,15,16)/t9-,10-/m0/s1