(3S)-1-(2-cyanoethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: (3S)-1-(2-cyanoethyl)piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-(2-cyanoethyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-(2-cyanoethyl)-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-(2-cyanoethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(2-cyanoethyl)piperidin-1-ium-3-carboxylate Formula: C9H14N2O2 MolecularWeight: 182.21966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCC#N)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCC#N)C(=O)[O-]

InChI

InChI=1S/C9H14N2O2/c10-4-2-6-11-5-1-3-8(7-11)9(12)13/h8H,1-3,5-7H2,(H,12,13)/t8-/m0/s1