(2S,4S)-2-[4-[(4-bromophenyl)methoxy]phenyl]-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: (2S,4S)-2-[4-[(4-bromophenyl)methoxy]phenyl]-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2S,4S)-2-[4-[(4-bromophenyl)methoxy]phenyl]thiazolidin-3-ium-4-carboxylate CAS Name: (2S,4S)-2-[4-[(4-bromophenyl)methoxy]phenyl]-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2S,4S)-2-[4-[(4-bromophenyl)methoxy]phenyl]-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2S,4S)-2-[4-(4-bromobenzyl)oxyphenyl]thiazolidin-3-ium-4-carboxylate Formula: C17H16BrNO3S MolecularWeight: 394.28284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrNO3S/c18-13-5-1-11(2-6-13)9-22-14-7-3-12(4-8-14)16-19-15(10-23-16)17(20)21/h1-8,15-16,19H,9-10H2,(H,20,21)/t15-,16+/m1/s1