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

Systemtic Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-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-cyclopropyl-ethyl]acetamide CAS Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-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-cyclopropyl-ethyl]acetamide Formula: C21H30N4O+2 MolecularWeight: 354.4891

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)C[NH+]2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)C[NH+]2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H28N4O/c1-21(17-22,19-9-10-19)23-20(26)16-25-14-12-24(13-15-25)11-5-8-18-6-3-2-4-7-18/h2-8,19H,9-16H2,1H3,(H,23,26)/p+2/b8-5+/t21-/m0/s1