(2S)-2-[2-cyanoethyl(methyl)azaniumyl]-2-phenyl-ethanoate

Systemtic Name: (2S)-2-[2-cyanoethyl(methyl)azaniumyl]-2-phenyl-ethanoate Openeye Name: (2S)-2-[2-cyanoethyl(methyl)ammonio]-2-phenyl-acetate CAS Name: (2S)-2-[2-cyanoethyl(methyl)ammonio]-2-phenylacetate IUPAC Name: (2S)-2-[2-cyanoethyl(methyl)azaniumyl]-2-phenylacetate Traditional Name: (2S)-2-[2-cyanoethyl(methyl)ammonio]-2-phenyl-acetate Formula: C12H14N2O2 MolecularWeight: 218.25176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC#N)C(C1=CC=CC=C1)C(=O)[O-]

Isomeric SMILES

C[NH+](CCC#N)[C@@H](C1=CC=CC=C1)C(=O)[O-]

InChI

InChI=1S/C12H14N2O2/c1-14(9-5-8-13)11(12(15)16)10-6-3-2-4-7-10/h2-4,6-7,11H,5,9H2,1H3,(H,15,16)/t11-/m0/s1