1-(4-fluorophenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazin-4-ium

Systemtic Name: 1-(4-fluorophenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazin-4-ium Openeye Name: 1-(4-fluorophenyl)-4-[(E)-3-(2-nitrophenyl)allyl]piperazin-4-ium CAS Name: 1-(4-fluorophenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazin-4-ium IUPAC Name: 1-(4-fluorophenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazin-4-ium Traditional Name: 1-(4-fluorophenyl)-4-[(E)-3-(2-nitrophenyl)allyl]piperazin-4-ium Formula: C19H21FN3O2+ MolecularWeight: 342.387343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20FN3O2/c20-17-7-9-18(10-8-17)22-14-12-21(13-15-22)11-3-5-16-4-1-2-6-19(16)23(24)25/h1-10H,11-15H2/p+1/b5-3+