dimethyl-[2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]ethyl]azanium Openeye Name: dimethyl-[2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbothioyl]amino]ethyl]ammonium CAS Name: dimethyl-[2-[[sulfanylidene-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]methyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbothioyl]amino]ethyl]azanium Traditional Name: 2-[(4-mesitylsulfonylpiperazine-1-carbothioyl)amino]ethyl-dimethyl-ammonium Formula: C18H31N4O2S2+ MolecularWeight: 399.59434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N4O2S2/c1-14-12-15(2)17(16(3)13-14)26(23,24)22-10-8-21(9-11-22)18(25)19-6-7-20(4)5/h12-13H,6-11H2,1-5H3,(H,19,25)/p+1