1-morpholin-4-yl-2-[4-[2-(trifluoromethylsulfonyl)phenyl]piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-morpholin-4-yl-2-[4-[2-(trifluoromethylsulfonyl)phenyl]piperazin-1-ium-1-yl]ethanone Openeye Name: 1-morpholino-2-[4-[2-(trifluoromethylsulfonyl)phenyl]piperazin-1-ium-1-yl]ethanone CAS Name: 1-(4-morpholinyl)-2-[4-[2-(trifluoromethylsulfonyl)phenyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-morpholin-4-yl-2-[4-[2-(trifluoromethylsulfonyl)phenyl]piperazin-1-ium-1-yl]ethanone Traditional Name: 1-morpholino-2-[4-(2-triflylphenyl)piperazin-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)C3=CC=CC=C3S(=O)(=O)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C3=CC=CC=C3S(=O)(=O)C(F)(F)F

InChI

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