2-[ethoxy(methyl)phosphoryl]sulfanylethyl-(3-methoxyphenyl)-dimethyl-azanium; methyl sulfate

Systemtic Name: 2-[ethoxy(methyl)phosphoryl]sulfanylethyl-(3-methoxyphenyl)-dimethyl-azanium; methyl sulfate Openeye Name: 2-[ethoxy(methyl)phosphoryl]sulfanylethyl-(3-methoxyphenyl)-dimethyl-ammonium; methyl sulfate CAS Name: 2-[[ethoxy(methyl)phosphoryl]thio]ethyl-(3-methoxyphenyl)-dimethylammonium; methyl sulfate IUPAC Name: 2-[ethoxy(methyl)phosphoryl]sulfanylethyl-(3-methoxyphenyl)-dimethylazanium; methyl sulfate Traditional Name: 2-[[ethoxy(methyl)phosphoryl]thio]ethyl-(3-methoxyphenyl)-dimethyl-ammonium; methyl sulfate Formula: C15H28NO7PS2 MolecularWeight: 429.489081

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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