(2R,4R)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: (2R,4R)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2R,4R)-2-(3-benzyloxyphenyl)thiazolidin-3-ium-4-carboxylate CAS Name: (2R,4R)-2-(3-phenylmethoxyphenyl)-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2R,4R)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2R,4R)-2-(3-benzoxyphenyl)thiazolidin-3-ium-4-carboxylate Formula: C17H17NO3S MolecularWeight: 315.38678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C([NH2+]C(S1)C2=CC(=CC=C2)OCC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1[C@H]([NH2+][C@H](S1)C2=CC(=CC=C2)OCC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C17H17NO3S/c19-17(20)15-11-22-16(18-15)13-7-4-8-14(9-13)21-10-12-5-2-1-3-6-12/h1-9,15-16,18H,10-11H2,(H,19,20)/t15-,16+/m0/s1