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

Systemtic Name: (2R)-N-[(2S)-2-cyano-3-methyl-butan-2-yl]-2-(4-phenethylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-(4-phenethylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4-phenethyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2R)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4-phenethylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-(4-phenethylpiperazin-1-ium-1-yl)propionamide Formula: C21H33N4O+ MolecularWeight: 357.51292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)[NH+]1CCN(CC1)CCC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)N[C@](C)(C#N)C(C)C)[NH+]1CCN(CC1)CCC2=CC=CC=C2

InChI

InChI=1S/C21H32N4O/c1-17(2)21(4,16-22)23-20(26)18(3)25-14-12-24(13-15-25)11-10-19-8-6-5-7-9-19/h5-9,17-18H,10-15H2,1-4H3,(H,23,26)/p+1/t18-,21-/m1/s1