dimethyl-[3-[[4-(phenylsulfonyl)piperazin-1-yl]carbothioylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[[4-(phenylsulfonyl)piperazin-1-yl]carbothioylamino]propyl]azanium Openeye Name: 3-[[4-(benzenesulfonyl)piperazine-1-carbothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-(benzenesulfonyl)-1-piperazinyl]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-(benzenesulfonyl)piperazine-1-carbothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[(4-besylpiperazine-1-carbothioyl)amino]propyl-dimethyl-ammonium Formula: C16H27N4O2S2+ MolecularWeight: 371.54118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N4O2S2/c1-18(2)10-6-9-17-16(23)19-11-13-20(14-12-19)24(21,22)15-7-4-3-5-8-15/h3-5,7-8H,6,9-14H2,1-2H3,(H,17,23)/p+1