3-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]carbothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]carbothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-(4-fluorophenyl)sulfonylpiperazine-1-carbothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-(4-fluorophenyl)sulfonylpiperazine-1-carbothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-(4-fluorophenyl)sulfonylpiperazine-1-carbothioyl]amino]propyl-dimethyl-ammonium Formula: C16H26FN4O2S2+ MolecularWeight: 389.531643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25FN4O2S2/c1-19(2)9-3-8-18-16(24)20-10-12-21(13-11-20)25(22,23)15-6-4-14(17)5-7-15/h4-7H,3,8-13H2,1-2H3,(H,18,24)/p+1