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

Systemtic Name: (2R,4R)-2-(5-bromanyl-2-prop-2-ynoxy-phenyl)-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2R,4R)-2-(5-bromo-2-prop-2-ynoxy-phenyl)thiazolidin-3-ium-4-carboxylate CAS Name: (2R,4R)-2-(5-bromo-2-prop-2-ynoxyphenyl)-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2R,4R)-2-(5-bromo-2-prop-2-ynoxyphenyl)-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2R,4R)-2-(5-bromo-2-propargyloxy-phenyl)thiazolidin-3-ium-4-carboxylate Formula: C13H12BrNO3S MolecularWeight: 342.20828

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=C(C=C(C=C1)Br)C2[NH2+]C(CS2)C(=O)[O-]

Isomeric SMILES

C#CCOC1=C(C=C(C=C1)Br)[C@@H]2[NH2+][C@@H](CS2)C(=O)[O-]

InChI

InChI=1S/C13H12BrNO3S/c1-2-5-18-11-4-3-8(14)6-9(11)12-15-10(7-19-12)13(16)17/h1,3-4,6,10,12,15H,5,7H2,(H,16,17)/t10-,12+/m0/s1