1-(4-nitrophenyl)-4-[[4-(trifluoromethyloxy)phenyl]methyl]piperazin-4-ium

Systemtic Name: 1-(4-nitrophenyl)-4-[[4-(trifluoromethyloxy)phenyl]methyl]piperazin-4-ium Openeye Name: 1-(4-nitrophenyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-4-ium CAS Name: 1-(4-nitrophenyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-(4-nitrophenyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-4-ium Traditional Name: 1-(4-nitrophenyl)-4-[4-(trifluoromethoxy)benzyl]piperazin-4-ium Formula: C18H19F3N3O3+ MolecularWeight: 382.35697

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18F3N3O3/c19-18(20,21)27-17-7-1-14(2-8-17)13-22-9-11-23(12-10-22)15-3-5-16(6-4-15)24(25)26/h1-8H,9-13H2/p+1