methanesulfonate; trimethyl-[3-(3-octadecoxy-2-oxidanyl-propyl)sulfonylpropyl]azanium

Systemtic Name: methanesulfonate; trimethyl-[3-(3-octadecoxy-2-oxidanyl-propyl)sulfonylpropyl]azanium Openeye Name: 3-(2-hydroxy-3-octadecoxy-propyl)sulfonylpropyl-trimethyl-ammonium; methanesulfonate CAS Name: 3-(2-hydroxy-3-octadecoxypropyl)sulfonylpropyl-trimethylammonium; methanesulfonate IUPAC Name: 3-(2-hydroxy-3-octadecoxypropyl)sulfonylpropyl-trimethylazanium; methanesulfonate Traditional Name: 3-(2-hydroxy-3-stearyloxy-propyl)sulfonylpropyl-trimethyl-ammonium mesylate Formula: C28H61NO7S2 MolecularWeight: 587.91644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H58NO4S.CH4O3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-32-25-27(29)26-33(30,31)24-21-22-28(2,3)4;1-5(2,3)4/h27,29H,5-26H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1