(2S)-2-(dipropylazaniumyl)-2-phenyl-ethanoate

Systemtic Name: (2S)-2-(dipropylazaniumyl)-2-phenyl-ethanoate Openeye Name: (2S)-2-(dipropylammonio)-2-phenyl-acetate CAS Name: (2S)-2-(dipropylammonio)-2-phenylacetate IUPAC Name: (2S)-2-(dipropylazaniumyl)-2-phenylacetate Traditional Name: (2S)-2-(dipropylammonio)-2-phenyl-acetate Formula: C14H21NO2 MolecularWeight: 235.32204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO2/c1-3-10-15(11-4-2)13(14(16)17)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3,(H,16,17)/t13-/m0/s1