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

Systemtic Name: (2R,4R)-2-[4-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2R,4R)-2-[4-[(3-fluorophenyl)methoxy]phenyl]thiazolidin-3-ium-4-carboxylate CAS Name: (2R,4R)-2-[4-[(3-fluorophenyl)methoxy]phenyl]-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2R,4R)-2-[4-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2R,4R)-2-[4-(3-fluorobenzyl)oxyphenyl]thiazolidin-3-ium-4-carboxylate Formula: C17H16FNO3S MolecularWeight: 333.377243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16FNO3S/c18-13-3-1-2-11(8-13)9-22-14-6-4-12(5-7-14)16-19-15(10-23-16)17(20)21/h1-8,15-16,19H,9-10H2,(H,20,21)/t15-,16+/m0/s1