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

Systemtic Name: 3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propanenitrile Openeye Name: 3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]propanenitrile CAS Name: 3-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]propanenitrile IUPAC Name: 3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propanenitrile Traditional Name: 3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]propionitrile Formula: C16H22N3+ MolecularWeight: 256.36598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3/c17-9-5-11-19-14-12-18(13-15-19)10-4-8-16-6-2-1-3-7-16/h1-4,6-8H,5,10-15H2/p+1/b8-4+