(2R,4R)-2-[4-(2-phenylethynyl)phenyl]-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: (2R,4R)-2-[4-(2-phenylethynyl)phenyl]-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2R,4R)-2-[4-(2-phenylethynyl)phenyl]thiazolidin-3-ium-4-carboxylate CAS Name: (2R,4R)-2-[4-(2-phenylethynyl)phenyl]-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2R,4R)-2-[4-(2-phenylethynyl)phenyl]-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2R,4R)-2-[4-(2-phenylethynyl)phenyl]thiazolidin-3-ium-4-carboxylate Formula: C18H15NO2S MolecularWeight: 309.3822

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH2+]C(S1)C2=CC=C(C=C2)C#CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1[C@H]([NH2+][C@H](S1)C2=CC=C(C=C2)C#CC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C18H15NO2S/c20-18(21)16-12-22-17(19-16)15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-5,8-11,16-17,19H,12H2,(H,20,21)/t16-,17+/m0/s1