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

Systemtic Name: 2-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]-1-morpholino-ethanone CAS Name: 2-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone Traditional Name: 2-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]-1-morpholino-ethanone Formula: C17H21F3N5O6+ MolecularWeight: 448.37375

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H20F3N5O6/c18-17(19,20)12-9-13(24(27)28)16(14(10-12)25(29)30)23-3-1-21(2-4-23)11-15(26)22-5-7-31-8-6-22/h9-10H,1-8,11H2/p+1