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

Systemtic Name: 2-[methyl-[2-nitro-4-(trifluoromethyl)phenyl]amino]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-[N-methyl-2-nitro-4-(trifluoromethyl)anilino]-1-(4-methylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-[N-methyl-2-nitro-4-(trifluoromethyl)anilino]-1-(4-methyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-[N-methyl-2-nitro-4-(trifluoromethyl)anilino]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-[N-methyl-2-nitro-4-(trifluoromethyl)anilino]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Formula: C15H20F3N4O3+ MolecularWeight: 361.33951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19F3N4O3/c1-19-5-7-21(8-6-19)14(23)10-20(2)12-4-3-11(15(16,17)18)9-13(12)22(24)25/h3-4,9H,5-8,10H2,1-2H3/p+1