2-(4-methylmorpholin-4-ium-4-yl)-2-phenyl-ethanenitrile; methyl sulfate

Systemtic Name: 2-(4-methylmorpholin-4-ium-4-yl)-2-phenyl-ethanenitrile; methyl sulfate Openeye Name: 2-(4-methylmorpholin-4-ium-4-yl)-2-phenyl-acetonitrile; methyl sulfate CAS Name: 2-(4-methyl-4-morpholin-4-iumyl)-2-phenylacetonitrile; methyl sulfate IUPAC Name: 2-(4-methylmorpholin-4-ium-4-yl)-2-phenylacetonitrile; methyl sulfate Traditional Name: 2-(4-methylmorpholin-4-ium-4-yl)-2-phenyl-acetonitrile; methyl sulfate Formula: C14H20N2O5S MolecularWeight: 328.384

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCOCC1)C(C#N)C2=CC=CC=C2.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1(CCOCC1)C(C#N)C2=CC=CC=C2.COS(=O)(=O)[O-]

InChI

InChI=1S/C13H17N2O.CH4O4S/c1-15(7-9-16-10-8-15)13(11-14)12-5-3-2-4-6-12;1-5-6(2,3)4/h2-6,13H,7-10H2,1H3;1H3,(H,2,3,4)/q+1;/p-1