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

Systemtic Name: 1-[(3-nitrophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium Openeye Name: 1-[(3-nitrophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium CAS Name: 1-[(3-nitrophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium IUPAC Name: 1-[(3-nitrophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium Traditional Name: 1-(3-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(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

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

InChI

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