1-(2,4-dinitrophenyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium

Systemtic Name: 1-(2,4-dinitrophenyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium Openeye Name: 1-(2,4-dinitrophenyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium CAS Name: 1-(2,4-dinitrophenyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-(2,4-dinitrophenyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium Traditional Name: 1-(2,4-dinitrophenyl)-4-[3-(trifluoromethyl)benzyl]piperazin-4-ium Formula: C18H18F3N4O4+ MolecularWeight: 411.35513

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17F3N4O4/c19-18(20,21)14-3-1-2-13(10-14)12-22-6-8-23(9-7-22)16-5-4-15(24(26)27)11-17(16)25(28)29/h1-5,10-11H,6-9,12H2/p+1