(2S)-2-[2-cyanoethyl(pyridin-3-ylmethyl)azaniumyl]-3-methyl-butanoate

Systemtic Name: (2S)-2-[2-cyanoethyl(pyridin-3-ylmethyl)azaniumyl]-3-methyl-butanoate Openeye Name: (2S)-2-[2-cyanoethyl(3-pyridylmethyl)ammonio]-3-methyl-butanoate CAS Name: (2S)-2-[2-cyanoethyl(3-pyridinylmethyl)ammonio]-3-methylbutanoate IUPAC Name: (2S)-2-[2-cyanoethyl(pyridin-3-ylmethyl)azaniumyl]-3-methylbutanoate Traditional Name: (2S)-2-[2-cyanoethyl(3-pyridylmethyl)ammonio]-3-methyl-butyrate Formula: C14H19N3O2 MolecularWeight: 261.31956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])[NH+](CCC#N)CC1=CN=CC=C1

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])[NH+](CCC#N)CC1=CN=CC=C1

InChI

InChI=1S/C14H19N3O2/c1-11(2)13(14(18)19)17(8-4-6-15)10-12-5-3-7-16-9-12/h3,5,7,9,11,13H,4,8,10H2,1-2H3,(H,18,19)/t13-/m0/s1