4-[2,4-dinitro-6-(trifluoromethyl)phenyl]-1,1-dimethyl-piperazin-1-ium

Systemtic Name: 4-[2,4-dinitro-6-(trifluoromethyl)phenyl]-1,1-dimethyl-piperazin-1-ium Openeye Name: 4-[2,4-dinitro-6-(trifluoromethyl)phenyl]-1,1-dimethyl-piperazin-1-ium CAS Name: 4-[2,4-dinitro-6-(trifluoromethyl)phenyl]-1,1-dimethylpiperazin-1-ium IUPAC Name: 4-[2,4-dinitro-6-(trifluoromethyl)phenyl]-1,1-dimethylpiperazin-1-ium Traditional Name: 4-[2,4-dinitro-6-(trifluoromethyl)phenyl]-1,1-dimethyl-piperazin-1-ium Formula: C13H16F3N4O4+ MolecularWeight: 349.28575

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2=C(C=C(C=C2C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

C[N+]1(CCN(CC1)C2=C(C=C(C=C2C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C13H16F3N4O4/c1-20(2)5-3-17(4-6-20)12-10(13(14,15)16)7-9(18(21)22)8-11(12)19(23)24/h7-8H,3-6H2,1-2H3/q+1