1-[2-nitro-4-(trifluoromethyl)phenyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium

Systemtic Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Openeye Name: 1-[(E)-cinnamyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium CAS Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium IUPAC Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Traditional Name: 1-[(E)-cinnamyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium Formula: C20H21F3N3O2+ MolecularWeight: 392.39485

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20F3N3O2/c21-20(22,23)17-8-9-18(19(15-17)26(27)28)25-13-11-24(12-14-25)10-4-7-16-5-2-1-3-6-16/h1-9,15H,10-14H2/p+1/b7-4+