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

Systemtic Name: N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(1R)-1-cyano-1,2-dimethyl-propyl]acetamide CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(1R)-1-cyano-1,2-dimethyl-propyl]acetamide Formula: C19H27N4O2+ MolecularWeight: 343.44328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O2/c1-15(2)19(3,14-20)21-17(24)13-22-9-11-23(12-10-22)18(25)16-7-5-4-6-8-16/h4-8,15H,9-13H2,1-3H3,(H,21,24)/p+1/t19-/m0/s1