3-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbothioyl]amino]propyl-dimethyl-ammonium Formula: C18H31N4O2S2+ MolecularWeight: 399.59434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCCC[NH+](C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCCC[NH+](C)C)C

InChI

InChI=1S/C18H30N4O2S2/c1-15-6-7-17(16(2)14-15)26(23,24)22-12-10-21(11-13-22)18(25)19-8-5-9-20(3)4/h6-7,14H,5,8-13H2,1-4H3,(H,19,25)/p+1