ethanenitrile; 1-methylpiperidin-1-ium; methyl sulfate

Systemtic Name: ethanenitrile; 1-methylpiperidin-1-ium; methyl sulfate Openeye Name: acetonitrile; 1-methylpiperidin-1-ium; methyl sulfate CAS Name: acetonitrile; 1-methylpiperidin-1-ium; methyl sulfate IUPAC Name: acetonitrile; 1-methylpiperidin-1-ium; methyl sulfate Traditional Name: acetonitrile; 1-methylpiperidin-1-ium; methyl sulfate Formula: C9H20N2O4S MolecularWeight: 252.3311

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.C[NH+]1CCCCC1.COS(=O)(=O)[O-]

Isomeric SMILES

CC#N.C[NH+]1CCCCC1.COS(=O)(=O)[O-]

InChI

InChI=1S/C6H13N.C2H3N.CH4O4S/c1-7-5-3-2-4-6-7;1-2-3;1-5-6(2,3)4/h2-6H2,1H3;1H3;1H3,(H,2,3,4)