2-diethoxyphosphorylsulfanylethyl-dimethyl-phenyl-azanium; methyl sulfate

Systemtic Name: 2-diethoxyphosphorylsulfanylethyl-dimethyl-phenyl-azanium; methyl sulfate Openeye Name: 2-diethoxyphosphorylsulfanylethyl-dimethyl-phenyl-ammonium; methyl sulfate CAS Name: 2-(diethoxyphosphorylthio)ethyl-dimethyl-phenylammonium; methyl sulfate IUPAC Name: 2-diethoxyphosphorylsulfanylethyl-dimethyl-phenylazanium; methyl sulfate Traditional Name: 2-(diethoxyphosphorylthio)ethyl-dimethyl-phenyl-ammonium; methyl sulfate Formula: C15H28NO7PS2 MolecularWeight: 429.489081

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(OCC)SCC[N+](C)(C)C1=CC=CC=C1.COS(=O)(=O)[O-]

Isomeric SMILES

CCOP(=O)(OCC)SCC[N+](C)(C)C1=CC=CC=C1.COS(=O)(=O)[O-]

InChI

InChI=1S/C14H25NO3PS.CH4O4S/c1-5-17-19(16,18-6-2)20-13-12-15(3,4)14-10-8-7-9-11-14;1-5-6(2,3)4/h7-11H,5-6,12-13H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1