3-[[4-[2,5-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]carbothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-[2,5-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]carbothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-(2,5-difluorophenyl)sulfonylpiperazine-1-carbothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-(2,5-difluorophenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-(2,5-difluorophenyl)sulfonylpiperazine-1-carbothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-(2,5-difluorophenyl)sulfonylpiperazine-1-carbothioyl]amino]propyl-dimethyl-ammonium Formula: C16H25F2N4O2S2+ MolecularWeight: 407.522106

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)F)F

Isomeric SMILES

C[NH+](C)CCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)F)F

InChI

InChI=1S/C16H24F2N4O2S2/c1-20(2)7-3-6-19-16(25)21-8-10-22(11-9-21)26(23,24)15-12-13(17)4-5-14(15)18/h4-5,12H,3,6-11H2,1-2H3,(H,19,25)/p+1