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

Systemtic Name: (2S)-N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-[(1R)-1-cyano-1,2-dimethyl-propyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-[(1R)-1-cyano-1,2-dimethyl-propyl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propionamide Formula: C17H27N6O+ MolecularWeight: 331.43588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N6O/c1-13(2)17(4,12-18)21-15(24)14(3)22-8-10-23(11-9-22)16-19-6-5-7-20-16/h5-7,13-14H,8-11H2,1-4H3,(H,21,24)/p+1/t14-,17-/m0/s1