(2R,4S)-3-[(4-bromophenyl)methyl]-2-(2-hydroxyphenyl)-1,3-thiazolidin-3-ium-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH+](C(S1)C2=CC=CC=C2O)CC3=CC=C(C=C3)Br)C(=O)[O-]

Isomeric SMILES

C1[C@@H]([NH+]([C@H](S1)C2=CC=CC=C2O)CC3=CC=C(C=C3)Br)C(=O)[O-]

InChI

InChI=1S/C17H16BrNO3S/c18-12-7-5-11(6-8-12)9-19-14(17(21)22)10-23-16(19)13-3-1-2-4-15(13)20/h1-8,14,16,20H,9-10H2,(H,21,22)/t14-,16-/m1/s1