1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-4-[(E)-cinnamyl]piperazine-1,4-diium CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium Traditional Name: 1-(2-chloro-6-fluoro-benzyl)-4-[(E)-cinnamyl]piperazine-1,4-diium Formula: C20H24ClFN2+2 MolecularWeight: 346.869363

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC=CC2=CC=CC=C2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1C[NH+](CC[NH+]1C/C=C/C2=CC=CC=C2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C20H22ClFN2/c21-19-9-4-10-20(22)18(19)16-24-14-12-23(13-15-24)11-5-8-17-6-2-1-3-7-17/h1-10H,11-16H2/p+2/b8-5+