methanesulfonate; 3-(2-methoxy-3-octadecoxy-propyl)sulfanylpropyl-trimethyl-azanium

Systemtic Name: methanesulfonate; 3-(2-methoxy-3-octadecoxy-propyl)sulfanylpropyl-trimethyl-azanium Openeye Name: methanesulfonate; 3-(2-methoxy-3-octadecoxy-propyl)sulfanylpropyl-trimethyl-ammonium CAS Name: methanesulfonate; 3-[(2-methoxy-3-octadecoxypropyl)thio]propyl-trimethylammonium IUPAC Name: methanesulfonate; 3-(2-methoxy-3-octadecoxypropyl)sulfanylpropyl-trimethylazanium Traditional Name: 3-[(2-methoxy-3-stearyloxy-propyl)thio]propyl-trimethyl-ammonium mesylate Formula: C29H63NO5S2 MolecularWeight: 569.94422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CSCCC[N+](C)(C)C)OC.CS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CSCCC[N+](C)(C)C)OC.CS(=O)(=O)[O-]

InChI

InChI=1S/C28H60NO2S.CH4O3S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-31-26-28(30-5)27-32-25-22-23-29(2,3)4;1-5(2,3)4/h28H,6-27H2,1-5H3;1H3,(H,2,3,4)/q+1;/p-1