diethyl-methyl-[2-(1-phenyl-2-propanoyloxy-ethyl)sulfanylethyl]azanium; methyl sulfate

Systemtic Name: diethyl-methyl-[2-(1-phenyl-2-propanoyloxy-ethyl)sulfanylethyl]azanium; methyl sulfate Openeye Name: diethyl-methyl-[2-(1-phenyl-2-propanoyloxy-ethyl)sulfanylethyl]ammonium; methyl sulfate CAS Name: diethyl-methyl-[2-[[2-(1-oxopropoxy)-1-phenylethyl]thio]ethyl]ammonium; methyl sulfate IUPAC Name: diethyl-methyl-[2-(1-phenyl-2-propanoyloxyethyl)sulfanylethyl]azanium; methyl sulfate Traditional Name: diethyl-methyl-[2-[(1-phenyl-2-propionyloxy-ethyl)thio]ethyl]ammonium; methyl sulfate Formula: C19H33NO6S2 MolecularWeight: 435.59842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30NO2S.CH4O4S/c1-5-18(20)21-15-17(16-11-9-8-10-12-16)22-14-13-19(4,6-2)7-3;1-5-6(2,3)4/h8-12,17H,5-7,13-15H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1