1-[(4-nitrophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium

Systemtic Name: 1-[(4-nitrophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium Openeye Name: 1-[(4-nitrophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium CAS Name: 1-[(4-nitrophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium IUPAC Name: 1-[(4-nitrophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium Traditional Name: 1-(4-nitrobenzyl)-4-[2-(trifluoromethyl)benzyl]piperazin-1-ium Formula: C19H21F3N3O2+ MolecularWeight: 380.38415

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C19H20F3N3O2/c20-19(21,22)18-4-2-1-3-16(18)14-24-11-9-23(10-12-24)13-15-5-7-17(8-6-15)25(26)27/h1-8H,9-14H2/p+1