N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1R)-1-cyano-1,2-dimethyl-propyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(1R)-1-cyano-1,2-dimethyl-propyl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C16H25N6O+ MolecularWeight: 317.4093

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C[NH+]1CCN(CC1)C2=NC=CC=N2

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCN(CC1)C2=NC=CC=N2

InChI

InChI=1S/C16H24N6O/c1-13(2)16(3,12-17)20-14(23)11-21-7-9-22(10-8-21)15-18-5-4-6-19-15/h4-6,13H,7-11H2,1-3H3,(H,20,23)/p+1/t16-/m0/s1