1-(4-methylpiperazin-4-ium-1-yl)-2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethanone

Systemtic Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethanone Openeye Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-[2-nitro-4-(trifluoromethyl)anilino]ethanone CAS Name: 1-(4-methyl-1-piperazin-4-iumyl)-2-[2-nitro-4-(trifluoromethyl)anilino]ethanone IUPAC Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-[2-nitro-4-(trifluoromethyl)anilino]ethanone Traditional Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-[2-nitro-4-(trifluoromethyl)anilino]ethanone Formula: C14H18F3N4O3+ MolecularWeight: 347.31293

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H17F3N4O3/c1-19-4-6-20(7-5-19)13(22)9-18-11-3-2-10(14(15,16)17)8-12(11)21(23)24/h2-3,8,18H,4-7,9H2,1H3/p+1