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

Systemtic Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-4-ium Openeye Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-4-ium CAS Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-4-ium IUPAC Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-4-ium Traditional Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-4-ium Formula: C11H12F3N4O4+ MolecularWeight: 321.23259

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C11H11F3N4O4/c12-11(13,14)7-5-8(17(19)20)10(9(6-7)18(21)22)16-3-1-15-2-4-16/h5-6,15H,1-4H2/p+1