2-fluoranyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]benzenecarbonitrile

Systemtic Name: 2-fluoranyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]benzenecarbonitrile Openeye Name: 2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-6-fluoro-benzonitrile CAS Name: 2-fluoro-6-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]benzonitrile IUPAC Name: 2-fluoro-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]benzonitrile Traditional Name: 2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-6-fluoro-benzonitrile Formula: C20H21FN3+ MolecularWeight: 322.399243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20FN3/c21-19-9-4-10-20(18(19)16-22)24-14-12-23(13-15-24)11-5-8-17-6-2-1-3-7-17/h1-10H,11-15H2/p+1/b8-5+