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

Systemtic Name: 4-[2,4-dinitro-6-(trifluoromethyl)phenyl]-1-methyl-1-oxidanidyl-piperazin-1-ium Openeye Name: 4-[2,4-dinitro-6-(trifluoromethyl)phenyl]-1-methyl-1-oxido-piperazin-1-ium CAS Name: 4-[2,4-dinitro-6-(trifluoromethyl)phenyl]-1-methyl-1-oxidopiperazin-1-ium IUPAC Name: 4-[2,4-dinitro-6-(trifluoromethyl)phenyl]-1-methyl-1-oxidopiperazin-1-ium Traditional Name: 4-[2,4-dinitro-6-(trifluoromethyl)phenyl]-1-methyl-1-oxido-piperazin-1-ium Formula: C12H13F3N4O5 MolecularWeight: 350.25063

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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-])[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H13F3N4O5/c1-19(24)4-2-16(3-5-19)11-9(12(13,14)15)6-8(17(20)21)7-10(11)18(22)23/h6-7H,2-5H2,1H3