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

Systemtic Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-methyl-piperazin-4-ium Openeye Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-methyl-piperazin-4-ium CAS Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-methylpiperazin-4-ium Traditional Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-methyl-piperazin-4-ium Formula: C12H14F3N4O4+ MolecularWeight: 335.25917

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13F3N4O4/c1-16-2-4-17(5-3-16)11-9(18(20)21)6-8(12(13,14)15)7-10(11)19(22)23/h6-7H,2-5H2,1H3/p+1