(2R,4R)-2-(6-bromanyl-1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: (2R,4R)-2-(6-bromanyl-1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2R,4R)-2-(6-bromo-1,3-benzodioxol-5-yl)thiazolidin-3-ium-4-carboxylate CAS Name: (2R,4R)-2-(6-bromo-1,3-benzodioxol-5-yl)-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2R,4R)-2-(6-bromo-1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2R,4R)-2-(6-bromo-1,3-benzodioxol-5-yl)thiazolidin-3-ium-4-carboxylate Formula: C11H10BrNO4S MolecularWeight: 332.1704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C([NH2+]C(S1)C2=CC3=C(C=C2Br)OCO3)C(=O)[O-]

Isomeric SMILES

C1[C@H]([NH2+][C@H](S1)C2=CC3=C(C=C2Br)OCO3)C(=O)[O-]

InChI

InChI=1S/C11H10BrNO4S/c12-6-2-9-8(16-4-17-9)1-5(6)10-13-7(3-18-10)11(14)15/h1-2,7,10,13H,3-4H2,(H,14,15)/t7-,10+/m0/s1