1-morpholin-4-yl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-morpholin-4-yl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-morpholino-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]ethanone CAS Name: 1-(4-morpholinyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-morpholin-4-yl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]ethanone Traditional Name: 1-morpholino-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]ethanone Formula: C17H23F3N3O4S+ MolecularWeight: 422.44243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22F3N3O4S/c18-17(19,20)14-2-1-3-15(12-14)28(25,26)23-6-4-21(5-7-23)13-16(24)22-8-10-27-11-9-22/h1-3,12H,4-11,13H2/p+1