diethyl-methyl-[2-(2-methyltridecan-2-ylsulfanyl)ethyl]azanium; methyl sulfate

Systemtic Name: diethyl-methyl-[2-(2-methyltridecan-2-ylsulfanyl)ethyl]azanium; methyl sulfate Openeye Name: 2-(1,1-dimethyldodecylsulfanyl)ethyl-diethyl-methyl-ammonium; methyl sulfate CAS Name: diethyl-methyl-[2-(2-methyltridecan-2-ylthio)ethyl]ammonium; methyl sulfate IUPAC Name: diethyl-methyl-[2-(2-methyltridecan-2-ylsulfanyl)ethyl]azanium; methyl sulfate Traditional Name: 2-(1,1-dimethyldodecylthio)ethyl-diethyl-methyl-ammonium; methyl sulfate Formula: C22H49NO4S2 MolecularWeight: 455.75876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C)(C)SCC[N+](C)(CC)CC.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC(C)(C)SCC[N+](C)(CC)CC.COS(=O)(=O)[O-]

InChI

InChI=1S/C21H46NS.CH4O4S/c1-7-10-11-12-13-14-15-16-17-18-21(4,5)23-20-19-22(6,8-2)9-3;1-5-6(2,3)4/h7-20H2,1-6H3;1H3,(H,2,3,4)/q+1;/p-1