1-[(3-bromanyl-4-fluoranyl-phenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium

Systemtic Name: 1-[(3-bromanyl-4-fluoranyl-phenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Openeye Name: 1-[(3-bromo-4-fluoro-phenyl)methyl]-4-[(E)-cinnamyl]piperazin-4-ium CAS Name: 1-[(3-bromo-4-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium IUPAC Name: 1-[(3-bromo-4-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Traditional Name: 1-(3-bromo-4-fluoro-benzyl)-4-[(E)-cinnamyl]piperazin-4-ium Formula: C20H23BrFN2+ MolecularWeight: 390.312423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrFN2/c21-19-15-18(8-9-20(19)22)16-24-13-11-23(12-14-24)10-4-7-17-5-2-1-3-6-17/h1-9,15H,10-14,16H2/p+1/b7-4+