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

Systemtic Name: (2S)-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]pentanedinitrile Openeye Name: (2S)-2-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]pentanedinitrile CAS Name: (2S)-2-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]pentanedinitrile IUPAC Name: (2S)-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]pentanedinitrile Traditional Name: (2S)-2-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]glutaronitrile Formula: C19H25N4+ MolecularWeight: 309.4286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C[C@H](CCC#N)C#N

InChI

InChI=1S/C19H24N4/c20-10-4-8-19(16-21)17-23-14-12-22(13-15-23)11-5-9-18-6-2-1-3-7-18/h1-3,5-7,9,19H,4,8,11-15,17H2/p+1/b9-5+/t19-/m1/s1