2-methylsulfanyl-4,5-dihydro-1H-imidazol-3-ium; methyl sulfate

Systemtic Name: 2-methylsulfanyl-4,5-dihydro-1H-imidazol-3-ium; methyl sulfate Openeye Name: 2-methylsulfanyl-4,5-dihydro-1H-imidazol-3-ium; methyl sulfate CAS Name: methyl sulfate; 2-(methylthio)-4,5-dihydro-1H-imidazol-3-ium IUPAC Name: 2-methylsulfanyl-4,5-dihydro-1H-imidazol-3-ium; methyl sulfate Traditional Name: methyl sulfate; 2-(methylthio)-2-imidazolin-1-ium Formula: C5H12N2O4S2 MolecularWeight: 228.28978

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)[O-].CSC1=[NH+]CCN1

Isomeric SMILES

COS(=O)(=O)[O-].CSC1=[NH+]CCN1

InChI

InChI=1S/C4H8N2S.CH4O4S/c1-7-4-5-2-3-6-4;1-5-6(2,3)4/h2-3H2,1H3,(H,5,6);1H3,(H,2,3,4)