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

Systemtic Name: 2-[ethoxy(methyl)phosphoryl]sulfanylethyl-dimethyl-phenyl-azanium; methyl sulfate Openeye Name: 2-[ethoxy(methyl)phosphoryl]sulfanylethyl-dimethyl-phenyl-ammonium; methyl sulfate CAS Name: 2-[[ethoxy(methyl)phosphoryl]thio]ethyl-dimethyl-phenylammonium; methyl sulfate IUPAC Name: 2-[ethoxy(methyl)phosphoryl]sulfanylethyl-dimethyl-phenylazanium; methyl sulfate Traditional Name: 2-[[ethoxy(methyl)phosphoryl]thio]ethyl-dimethyl-phenyl-ammonium; methyl sulfate Formula: C14H26NO6PS2 MolecularWeight: 399.463101

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H23NO2PS.CH4O4S/c1-5-16-17(4,15)18-12-11-14(2,3)13-9-7-6-8-10-13;1-5-6(2,3)4/h6-10H,5,11-12H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1