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

Systemtic Name: 1-[(3-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Openeye Name: 1-[(E)-cinnamyl]-4-[(3-fluorophenyl)methyl]piperazin-1-ium CAS Name: 1-[(3-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium IUPAC Name: 1-[(3-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Traditional Name: 1-[(E)-cinnamyl]-4-(3-fluorobenzyl)piperazin-1-ium Formula: C20H24FN2+ MolecularWeight: 311.416363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)CC3=CC(=CC=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN2/c21-20-10-4-8-19(16-20)17-23-14-12-22(13-15-23)11-5-9-18-6-2-1-3-7-18/h1-10,16H,11-15,17H2/p+1/b9-5+