methyl sulfate; trimethyl-(3-oxidanylidene-3-phenyl-propyl)azanium

Systemtic Name: methyl sulfate; trimethyl-(3-oxidanylidene-3-phenyl-propyl)azanium Openeye Name: methyl sulfate; trimethyl-(3-oxo-3-phenyl-propyl)ammonium CAS Name: methyl sulfate; trimethyl-(3-oxo-3-phenylpropyl)ammonium IUPAC Name: methyl sulfate; trimethyl-(3-oxo-3-phenylpropyl)azanium Traditional Name: (3-keto-3-phenyl-propyl)-trimethyl-ammonium; methyl sulfate Formula: C13H21NO5S MolecularWeight: 303.37454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18NO.CH4O4S/c1-13(2,3)10-9-12(14)11-7-5-4-6-8-11;1-5-6(2,3)4/h4-8H,9-10H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1