[(4-azanyl-6-methylsulfanyl-3-oxidanylidene-hexanoyl)-methyl-amino]sulfanium; methyl sulfate

Systemtic Name: [(4-azanyl-6-methylsulfanyl-3-oxidanylidene-hexanoyl)-methyl-amino]sulfanium; methyl sulfate Openeye Name: [(4-amino-6-methylsulfanyl-3-oxo-hexanoyl)-methyl-amino]sulfonium; methyl sulfate CAS Name: [[4-amino-6-(methylthio)-1,3-dioxohexyl]-methylamino]sulfonium; methyl sulfate IUPAC Name: [(4-amino-6-methylsulfanyl-3-oxohexanoyl)-methylamino]sulfanium; methyl sulfate Traditional Name: [[4-amino-3-keto-6-(methylthio)hexanoyl]-methyl-amino]sulfonium; methyl sulfate Formula: C9H20N2O6S3 MolecularWeight: 348.4599

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)CC(=O)C(CCSC)N)[SH2+].COS(=O)(=O)[O-]

Isomeric SMILES

CN(C(=O)CC(=O)C(CCSC)N)[SH2+].COS(=O)(=O)[O-]

InChI

InChI=1S/C8H16N2O2S2.CH4O4S/c1-10(13)8(12)5-7(11)6(9)3-4-14-2;1-5-6(2,3)4/h6,13H,3-5,9H2,1-2H3;1H3,(H,2,3,4)