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

Systemtic Name: (2S)-N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(1R)-1-cyano-1,2-dimethyl-propyl]propanamide CAS Name: (2S)-2-(4-benzoyl-1-piperazin-1-iumyl)-N-[(2R)-2-cyano-3-methylbutan-2-yl]propanamide IUPAC Name: (2S)-2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2R)-2-cyano-3-methylbutan-2-yl]propanamide Traditional Name: (2S)-2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(1R)-1-cyano-1,2-dimethyl-propyl]propionamide Formula: C20H29N4O2+ MolecularWeight: 357.46986

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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)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O2/c1-15(2)20(4,14-21)22-18(25)16(3)23-10-12-24(13-11-23)19(26)17-8-6-5-7-9-17/h5-9,15-16H,10-13H2,1-4H3,(H,22,25)/p+1/t16-,20-/m0/s1