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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1C[NH2+]CCN(C1)C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H13F3N4O4/c13-12(14,15)8-6-9(18(20)21)11(10(7-8)19(22)23)17-4-1-2-16-3-5-17/h6-7,16H,1-5H2/p+1