ethyl (2S)-2-cyano-3-(3-piperidin-1-ium-1-ylpropylimino)propanoate

Systemtic Name: ethyl (2S)-2-cyano-3-(3-piperidin-1-ium-1-ylpropylimino)propanoate Openeye Name: ethyl (2S)-2-cyano-3-(3-piperidin-1-ium-1-ylpropylimino)propanoate CAS Name: (2S)-2-cyano-3-[3-(1-piperidin-1-iumyl)propylimino]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-cyano-3-(3-piperidin-1-ium-1-ylpropylimino)propanoate Traditional Name: (2S)-2-cyano-3-(3-piperidin-1-ium-1-ylpropylimino)propionic acid ethyl ester Formula: C14H24N3O2+ MolecularWeight: 266.35926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=NCCC[NH+]1CCCCC1)C#N

Isomeric SMILES

CCOC(=O)[C@@H](C=NCCC[NH+]1CCCCC1)C#N

InChI

InChI=1S/C14H23N3O2/c1-2-19-14(18)13(11-15)12-16-7-6-10-17-8-4-3-5-9-17/h12-13H,2-10H2,1H3/p+1/t13-/m1/s1