1-phenylpropan-2-ylazanium; (2R,3R)-2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoate

Systemtic Name: 1-phenylpropan-2-ylazanium; (2R,3R)-2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoate Openeye Name: (1-methyl-2-phenyl-ethyl)ammonium; (2R,3R)-2,3,4-trihydroxy-4-oxo-butanoate CAS Name: 1-phenylpropan-2-ylammonium; (2R,3R)-2,3,4-trihydroxy-4-oxobutanoate IUPAC Name: 1-phenylpropan-2-ylazanium; (2R,3R)-2,3,4-trihydroxy-4-oxobutanoate Traditional Name: (1-methyl-2-phenyl-ethyl)ammonium; (2R,3R)-2,3,4-trihydroxy-4-keto-butyrate Formula: C13H19NO6 MolecularWeight: 285.29306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)[NH3+].C(C(C(=O)[O-])O)(C(=O)O)O

Isomeric SMILES

CC(CC1=CC=CC=C1)[NH3+].[C@@H]([C@H](C(=O)[O-])O)(C(=O)O)O

InChI

InChI=1S/C9H13N.C4H6O6/c1-8(10)7-9-5-3-2-4-6-9;5-1(3(7)8)2(6)4(9)10/h2-6,8H,7,10H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1