2-[ethoxy(methyl)phosphoryl]sulfanylethyl-dimethyl-(4-methylphenyl)azanium; methyl sulfate

Systemtic Name: 2-[ethoxy(methyl)phosphoryl]sulfanylethyl-dimethyl-(4-methylphenyl)azanium; methyl sulfate Openeye Name: 2-[ethoxy(methyl)phosphoryl]sulfanylethyl-dimethyl-(p-tolyl)ammonium; methyl sulfate CAS Name: 2-[[ethoxy(methyl)phosphoryl]thio]ethyl-dimethyl-(4-methylphenyl)ammonium; methyl sulfate IUPAC Name: 2-[ethoxy(methyl)phosphoryl]sulfanylethyl-dimethyl-(4-methylphenyl)azanium; methyl sulfate Traditional Name: 2-[[ethoxy(methyl)phosphoryl]thio]ethyl-dimethyl-(p-tolyl)ammonium; methyl sulfate Formula: C15H28NO6PS2 MolecularWeight: 413.489681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H25NO2PS.CH4O4S/c1-6-17-18(5,16)19-12-11-15(3,4)14-9-7-13(2)8-10-14;1-5-6(2,3)4/h7-10H,6,11-12H2,1-5H3;1H3,(H,2,3,4)/q+1;/p-1