dimethyl-[3-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]propyl]azanium Openeye Name: 3-[[4-(4-isopropylphenyl)sulfonylpiperazine-1-carbothioyl]amino]propyl-dimethyl-ammonium CAS Name: dimethyl-[3-[[[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbothioyl]amino]propyl]azanium Traditional Name: dimethyl-[3-[(4-p-cumenylsulfonylpiperazine-1-carbothioyl)amino]propyl]ammonium Formula: C19H33N4O2S2+ MolecularWeight: 413.62092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32N4O2S2/c1-16(2)17-6-8-18(9-7-17)27(24,25)23-14-12-22(13-15-23)19(26)20-10-5-11-21(3)4/h6-9,16H,5,10-15H2,1-4H3,(H,20,26)/p+1