(2R,4S)-2-(3-chlorophenyl)-3-(phenylmethyl)-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: (2R,4S)-2-(3-chlorophenyl)-3-(phenylmethyl)-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2R,4S)-3-benzyl-2-(3-chlorophenyl)thiazolidin-3-ium-4-carboxylate CAS Name: (2R,4S)-2-(3-chlorophenyl)-3-(phenylmethyl)-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2R,4S)-3-benzyl-2-(3-chlorophenyl)-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2R,4S)-3-benzyl-2-(3-chlorophenyl)thiazolidin-3-ium-4-carboxylate Formula: C17H16ClNO2S MolecularWeight: 333.83244

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH+](C(S1)C2=CC(=CC=C2)Cl)CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClNO2S/c18-14-8-4-7-13(9-14)16-19(15(11-22-16)17(20)21)10-12-5-2-1-3-6-12/h1-9,15-16H,10-11H2,(H,20,21)/t15-,16-/m1/s1