1-(4-nitrophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propan-1-one

Systemtic Name: 1-(4-nitrophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propan-1-one Openeye Name: 1-(4-nitrophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propan-1-one CAS Name: 1-(4-nitrophenyl)-3-[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]-1-propanone IUPAC Name: 1-(4-nitrophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propan-1-one Traditional Name: 1-(4-nitrophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propan-1-one Formula: C20H21F3N3O3+ MolecularWeight: 408.39425

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20F3N3O3/c21-20(22,23)16-2-1-3-18(14-16)25-12-10-24(11-13-25)9-8-19(27)15-4-6-17(7-5-15)26(28)29/h1-7,14H,8-13H2/p+1