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

Systemtic Name: diethyl-methyl-[2-[1-phenyl-2-(2-phenylethanoyloxy)ethyl]sulfanylethyl]azanium; methyl sulfate Openeye Name: diethyl-methyl-[2-[1-phenyl-2-(2-phenylacetyl)oxy-ethyl]sulfanylethyl]ammonium; methyl sulfate CAS Name: diethyl-methyl-[2-[[2-(1-oxo-2-phenylethoxy)-1-phenylethyl]thio]ethyl]ammonium; methyl sulfate IUPAC Name: diethyl-methyl-[2-[1-phenyl-2-(2-phenylacetyl)oxyethyl]sulfanylethyl]azanium; methyl sulfate Traditional Name: diethyl-methyl-[2-[[1-phenyl-2-(2-phenylacetyl)oxy-ethyl]thio]ethyl]ammonium; methyl sulfate Formula: C24H35NO6S2 MolecularWeight: 497.6678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCSC(COC(=O)CC1=CC=CC=C1)C2=CC=CC=C2.COS(=O)(=O)[O-]

Isomeric SMILES

CC[N+](C)(CC)CCSC(COC(=O)CC1=CC=CC=C1)C2=CC=CC=C2.COS(=O)(=O)[O-]

InChI

InChI=1S/C23H32NO2S.CH4O4S/c1-4-24(3,5-2)16-17-27-22(21-14-10-7-11-15-21)19-26-23(25)18-20-12-8-6-9-13-20;1-5-6(2,3)4/h6-15,22H,4-5,16-19H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1