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

Systemtic Name: methanesulfonate; trimethyl-[3-[3-octadecoxy-2-(3-oxidanylidenebutanoyloxy)propyl]sulfonylpropyl]azanium Openeye Name: methanesulfonate; trimethyl-[3-[3-octadecoxy-2-(3-oxobutanoyloxy)propyl]sulfonylpropyl]ammonium CAS Name: 3-[2-(1,3-dioxobutoxy)-3-octadecoxypropyl]sulfonylpropyl-trimethylammonium; methanesulfonate IUPAC Name: methanesulfonate; trimethyl-[3-[3-octadecoxy-2-(3-oxobutanoyloxy)propyl]sulfonylpropyl]azanium Traditional Name: 3-(2-acetoacetyloxy-3-stearyloxy-propyl)sulfonylpropyl-trimethyl-ammonium mesylate Formula: C32H65NO9S2 MolecularWeight: 671.9898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H62NO6S.CH4O3S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-37-27-30(38-31(34)26-29(2)33)28-39(35,36)25-22-23-32(3,4)5;1-5(2,3)4/h30H,6-28H2,1-5H3;1H3,(H,2,3,4)/q+1;/p-1