methyl sulfate; trimethyl-[3-[2-(methylamino)-2-oxidanylidene-ethoxy]phenyl]azanium

Systemtic Name: methyl sulfate; trimethyl-[3-[2-(methylamino)-2-oxidanylidene-ethoxy]phenyl]azanium Openeye Name: methyl sulfate; trimethyl-[3-[2-(methylamino)-2-oxo-ethoxy]phenyl]ammonium CAS Name: methyl sulfate; trimethyl-[3-[2-(methylamino)-2-oxoethoxy]phenyl]ammonium IUPAC Name: methyl sulfate; trimethyl-[3-[2-(methylamino)-2-oxoethoxy]phenyl]azanium Traditional Name: [3-[2-keto-2-(methylamino)ethoxy]phenyl]-trimethyl-ammonium; methyl sulfate Formula: C13H22N2O6S MolecularWeight: 334.38858

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC1=CC=CC(=C1)[N+](C)(C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CNC(=O)COC1=CC=CC(=C1)[N+](C)(C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C12H18N2O2.CH4O4S/c1-13-12(15)9-16-11-7-5-6-10(8-11)14(2,3)4;1-5-6(2,3)4/h5-8H,9H2,1-4H3;1H3,(H,2,3,4)