N-[(2S)-2-cyano-3-methyl-butan-2-yl]-2-[(3R)-3-oxidanylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2S)-2-cyano-3-methyl-butan-2-yl]-2-[(3R)-3-oxidanylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-[(3R)-3-hydroxypiperidin-1-ium-1-yl]acetamide CAS Name: N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(3R)-3-hydroxy-1-piperidin-1-iumyl]acetamide IUPAC Name: N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(3R)-3-hydroxypiperidin-1-ium-1-yl]acetamide Traditional Name: N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-[(3R)-3-hydroxypiperidin-1-ium-1-yl]acetamide Formula: C13H24N3O2+ MolecularWeight: 254.34856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C[NH+]1CCCC(C1)O

Isomeric SMILES

CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC[C@H](C1)O

InChI

InChI=1S/C13H23N3O2/c1-10(2)13(3,9-14)15-12(18)8-16-6-4-5-11(17)7-16/h10-11,17H,4-8H2,1-3H3,(H,15,18)/p+1/t11-,13-/m1/s1