methyl-[(3S)-3-oxidanyl-3-thiophen-2-yl-propyl]azanium; (2S)-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: methyl-[(3S)-3-oxidanyl-3-thiophen-2-yl-propyl]azanium; (2S)-2-oxidanyl-2-phenyl-ethanoate Openeye Name: (2S)-2-hydroxy-2-phenyl-acetate; [(3S)-3-hydroxy-3-(2-thienyl)propyl]-methyl-ammonium CAS Name: (2S)-2-hydroxy-2-phenylacetate; [(3S)-3-hydroxy-3-thiophen-2-ylpropyl]-methylammonium IUPAC Name: (2S)-2-hydroxy-2-phenylacetate; [(3S)-3-hydroxy-3-thiophen-2-ylpropyl]-methylazanium Traditional Name: (2S)-2-hydroxy-2-phenyl-acetate; [(3S)-3-hydroxy-3-(2-thienyl)propyl]-methyl-ammonium Formula: C16H21NO4S MolecularWeight: 323.40724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CCC(C1=CC=CS1)O.C1=CC=C(C=C1)C(C(=O)[O-])O

Isomeric SMILES

C[NH2+]CC[C@@H](C1=CC=CS1)O.C1=CC=C(C=C1)[C@@H](C(=O)[O-])O

InChI

InChI=1S/C8H13NOS.C8H8O3/c1-9-5-4-7(10)8-3-2-6-11-8;9-7(8(10)11)6-4-2-1-3-5-6/h2-3,6-7,9-10H,4-5H2,1H3;1-5,7,9H,(H,10,11)/t2*7-/m00/s1