(2R)-2-(1H-indol-3-yl)-2-thiomorpholin-4-ium-4-yl-ethanoate

Systemtic Name: (2R)-2-(1H-indol-3-yl)-2-thiomorpholin-4-ium-4-yl-ethanoate Openeye Name: (2R)-2-(1H-indol-3-yl)-2-thiomorpholin-4-ium-4-yl-acetate CAS Name: (2R)-2-(1H-indol-3-yl)-2-(4-thiomorpholin-4-iumyl)acetate IUPAC Name: (2R)-2-(1H-indol-3-yl)-2-thiomorpholin-4-ium-4-ylacetate Traditional Name: (2R)-2-(1H-indol-3-yl)-2-thiomorpholin-4-ium-4-yl-acetate Formula: C14H16N2O2S MolecularWeight: 276.35404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSCC[NH+]1C(C2=CNC3=CC=CC=C32)C(=O)[O-]

Isomeric SMILES

C1CSCC[NH+]1[C@H](C2=CNC3=CC=CC=C32)C(=O)[O-]

InChI

InChI=1S/C14H16N2O2S/c17-14(18)13(16-5-7-19-8-6-16)11-9-15-12-4-2-1-3-10(11)12/h1-4,9,13,15H,5-8H2,(H,17,18)/t13-/m1/s1