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

Systemtic Name: (2S)-N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-(4-ethanoylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-[(1R)-1-cyano-1,2-dimethyl-propyl]propanamide CAS Name: (2S)-2-(4-acetyl-1-piperazin-1-iumyl)-N-[(2R)-2-cyano-3-methylbutan-2-yl]propanamide IUPAC Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-[(2R)-2-cyano-3-methylbutan-2-yl]propanamide Traditional Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-[(1R)-1-cyano-1,2-dimethyl-propyl]propionamide Formula: C15H27N4O2+ MolecularWeight: 295.40048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H26N4O2/c1-11(2)15(5,10-16)17-14(21)12(3)18-6-8-19(9-7-18)13(4)20/h11-12H,6-9H2,1-5H3,(H,17,21)/p+1/t12-,15-/m0/s1