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

Systemtic Name: (2R,4S)-2-[3-bromanyl-4-[(2-cyanophenyl)methoxy]phenyl]-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2R,4S)-2-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]thiazolidin-3-ium-4-carboxylate CAS Name: (2R,4S)-2-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2R,4S)-2-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2R,4S)-2-[3-bromo-4-(2-cyanobenzyl)oxy-phenyl]thiazolidin-3-ium-4-carboxylate Formula: C18H15BrN2O3S MolecularWeight: 419.2923

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH2+]C(S1)C2=CC(=C(C=C2)OCC3=CC=CC=C3C#N)Br)C(=O)[O-]

Isomeric SMILES

C1[C@@H]([NH2+][C@H](S1)C2=CC(=C(C=C2)OCC3=CC=CC=C3C#N)Br)C(=O)[O-]

InChI

InChI=1S/C18H15BrN2O3S/c19-14-7-11(17-21-15(10-25-17)18(22)23)5-6-16(14)24-9-13-4-2-1-3-12(13)8-20/h1-7,15,17,21H,9-10H2,(H,22,23)/t15-,17-/m1/s1