2-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile CAS Name: 2-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]methyl]benzonitrile IUPAC Name: 2-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile Traditional Name: 2-[[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile Formula: C21H25N3+2 MolecularWeight: 319.4433

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC=CC2=CC=CC=C2)CC3=CC=CC=C3C#N

Isomeric SMILES

C1C[NH+](CC[NH+]1C/C=C/C2=CC=CC=C2)CC3=CC=CC=C3C#N

InChI

InChI=1S/C21H23N3/c22-17-20-10-4-5-11-21(20)18-24-15-13-23(14-16-24)12-6-9-19-7-2-1-3-8-19/h1-11H,12-16,18H2/p+2/b9-6+