2-cyano-N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonylphenyl]ethanamide

Systemtic Name: 2-cyano-N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonylphenyl]ethanamide Openeye Name: N-[4-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]phenyl]-2-cyano-acetamide CAS Name: 2-cyano-N-[4-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]phenyl]acetamide IUPAC Name: 2-cyano-N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbonyl]phenyl]acetamide Traditional Name: N-[4-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]phenyl]-2-cyano-acetamide Formula: C23H25N4O2+ MolecularWeight: 389.4702

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)NC(=O)CC#N

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)NC(=O)CC#N

InChI

InChI=1S/C23H24N4O2/c24-13-12-22(28)25-21-10-8-20(9-11-21)23(29)27-17-15-26(16-18-27)14-4-7-19-5-2-1-3-6-19/h1-11H,12,14-18H2,(H,25,28)/p+1/b7-4+