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

Systemtic Name: 2-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-ium-1-yl]-1-morpholino-ethanone CAS Name: 2-[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-morpholin-4-ylethanone Traditional Name: 2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-ium-1-yl]-1-morpholino-ethanone Formula: C16H22ClFN3O4S+ MolecularWeight: 406.879983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClFN3O4S/c17-14-11-13(1-2-15(14)18)26(23,24)21-5-3-19(4-6-21)12-16(22)20-7-9-25-10-8-20/h1-2,11H,3-10,12H2/p+1