1-(5-nitropyridin-2-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium

Systemtic Name: 1-(5-nitropyridin-2-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium Openeye Name: 1-(5-nitro-2-pyridyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium CAS Name: 1-(5-nitro-2-pyridinyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-(5-nitropyridin-2-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium Traditional Name: 1-(5-nitro-2-pyridyl)-4-[4-(trifluoromethyl)benzyl]piperazin-4-ium Formula: C17H18F3N4O2+ MolecularWeight: 367.34563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17F3N4O2/c18-17(19,20)14-3-1-13(2-4-14)12-22-7-9-23(10-8-22)16-6-5-15(11-21-16)24(25)26/h1-6,11H,7-10,12H2/p+1