2-[2-oxidanylidene-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethoxy]benzenecarbonitrile

Systemtic Name: 2-[2-oxidanylidene-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethoxy]benzenecarbonitrile Openeye Name: 2-[2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 2-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]ethoxy]benzonitrile IUPAC Name: 2-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethoxy]benzonitrile Traditional Name: 2-[2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-keto-ethoxy]benzonitrile Formula: C22H24N3O2+ MolecularWeight: 362.44486

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)COC3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)COC3=CC=CC=C3C#N

InChI

InChI=1S/C22H23N3O2/c23-17-20-10-4-5-11-21(20)27-18-22(26)25-15-13-24(14-16-25)12-6-9-19-7-2-1-3-8-19/h1-11H,12-16,18H2/p+1/b9-6+