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

Systemtic Name: 2-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanol Formula: C13H16F3N4O5+ MolecularWeight: 365.28515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15F3N4O5/c14-13(15,16)9-7-10(19(22)23)12(11(8-9)20(24)25)18-3-1-17(2-4-18)5-6-21/h7-8,21H,1-6H2/p+1