1-[4-(4-methylmorpholin-4-ium-4-yl)phenyl]ethanone; methyl sulfate

Systemtic Name: 1-[4-(4-methylmorpholin-4-ium-4-yl)phenyl]ethanone; methyl sulfate Openeye Name: 1-[4-(4-methylmorpholin-4-ium-4-yl)phenyl]ethanone; methyl sulfate CAS Name: 1-[4-(4-methyl-4-morpholin-4-iumyl)phenyl]ethanone; methyl sulfate IUPAC Name: 1-[4-(4-methylmorpholin-4-ium-4-yl)phenyl]ethanone; methyl sulfate Traditional Name: 1-[4-(4-methylmorpholin-4-ium-4-yl)phenyl]ethanone; methyl sulfate Formula: C14H21NO6S MolecularWeight: 331.38464

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)[N+]2(CCOCC2)C.COS(=O)(=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)[N+]2(CCOCC2)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C13H18NO2.CH4O4S/c1-11(15)12-3-5-13(6-4-12)14(2)7-9-16-10-8-14;1-5-6(2,3)4/h3-6H,7-10H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1