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

Systemtic Name: 4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]benzonitrile Formula: C21H24N3+ MolecularWeight: 318.43536

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H23N3/c22-17-20-8-10-21(11-9-20)18-24-15-13-23(14-16-24)12-4-7-19-5-2-1-3-6-19/h1-11H,12-16,18H2/p+1/b7-4+