(2R,4R)-2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: (2R,4R)-2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2R,4R)-2-(5-bromo-2-methoxy-phenyl)thiazolidin-3-ium-4-carboxylate CAS Name: (2R,4R)-2-(5-bromo-2-methoxyphenyl)-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2R,4R)-2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2R,4R)-2-(5-bromo-2-methoxy-phenyl)thiazolidin-3-ium-4-carboxylate Formula: C11H12BrNO3S MolecularWeight: 318.18688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C2[NH2+]C(CS2)C(=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)Br)[C@@H]2[NH2+][C@@H](CS2)C(=O)[O-]

InChI

InChI=1S/C11H12BrNO3S/c1-16-9-3-2-6(12)4-7(9)10-13-8(5-17-10)11(14)15/h2-4,8,10,13H,5H2,1H3,(H,14,15)/t8-,10+/m0/s1