2-[4-[5-chloranyl-2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[4-[5-chloranyl-2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]-1-morpholino-ethanone CAS Name: 2-[4-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone Traditional Name: 2-[4-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]-1-morpholino-ethanone Formula: C17H21ClF3N4O4+ MolecularWeight: 437.82125

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClF3N4O4/c18-13-10-14(15(25(27)28)9-12(13)17(19,20)21)23-3-1-22(2-4-23)11-16(26)24-5-7-29-8-6-24/h9-10H,1-8,11H2/p+1