2-[4-(2-methyl-3-nitro-phenyl)carbonylpiperazin-1-ium-1-yl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide

Systemtic Name: 2-[4-(2-methyl-3-nitro-phenyl)carbonylpiperazin-1-ium-1-yl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide Openeye Name: 2-[4-(2-methyl-3-nitro-benzoyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide CAS Name: 2-[4-[(2-methyl-3-nitrophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-[4-(trifluoromethoxy)phenyl]acetamide IUPAC Name: 2-[4-(2-methyl-3-nitrobenzoyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide Traditional Name: 2-[4-(2-methyl-3-nitro-benzoyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide Formula: C21H22F3N4O5+ MolecularWeight: 467.41839

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C21H21F3N4O5/c1-14-17(3-2-4-18(14)28(31)32)20(30)27-11-9-26(10-12-27)13-19(29)25-15-5-7-16(8-6-15)33-21(22,23)24/h2-8H,9-13H2,1H3,(H,25,29)/p+1