N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: 2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]-N-[(1R)-1-cyano-1,2-dimethyl-propyl]acetamide CAS Name: N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: 2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]-N-[(1R)-1-cyano-1,2-dimethyl-propyl]acetamide Formula: C21H32N4O+2 MolecularWeight: 356.50498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C[NH+]1CC[NH+](CC1)CC=CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O/c1-18(2)21(3,17-22)23-20(26)16-25-14-12-24(13-15-25)11-7-10-19-8-5-4-6-9-19/h4-10,18H,11-16H2,1-3H3,(H,23,26)/p+2/b10-7+/t21-/m0/s1