2-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-N-[4-(trifluoromethyloxy)phenyl]benzamide

Systemtic Name: 2-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-N-[4-(trifluoromethyloxy)phenyl]benzamide Openeye Name: 2-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-N-[4-(trifluoromethoxy)phenyl]benzamide CAS Name: 2-(4-ethyl-1-piperazin-4-iumyl)-5-nitro-N-[4-(trifluoromethoxy)phenyl]benzamide IUPAC Name: 2-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-N-[4-(trifluoromethoxy)phenyl]benzamide Traditional Name: 2-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-N-[4-(trifluoromethoxy)phenyl]benzamide Formula: C20H22F3N4O4+ MolecularWeight: 439.40829

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C20H21F3N4O4/c1-2-25-9-11-26(12-10-25)18-8-5-15(27(29)30)13-17(18)19(28)24-14-3-6-16(7-4-14)31-20(21,22)23/h3-8,13H,2,9-12H2,1H3,(H,24,28)/p+1