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

Systemtic Name: 1-[(2-nitrophenyl)methyl]-4-[[4-(trifluoromethyloxy)phenyl]methyl]piperazin-1-ium Openeye Name: 1-[(2-nitrophenyl)methyl]-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-ium CAS Name: 1-[(2-nitrophenyl)methyl]-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-ium IUPAC Name: 1-[(2-nitrophenyl)methyl]-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-ium Traditional Name: 1-(2-nitrobenzyl)-4-[4-(trifluoromethoxy)benzyl]piperazin-1-ium Formula: C19H21F3N3O3+ MolecularWeight: 396.38355

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2[N+](=O)[O-])CC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2[N+](=O)[O-])CC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C19H20F3N3O3/c20-19(21,22)28-17-7-5-15(6-8-17)13-23-9-11-24(12-10-23)14-16-3-1-2-4-18(16)25(26)27/h1-8H,9-14H2/p+1