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

Systemtic Name: methanesulfonate; trimethyl-[3-(3-octadecoxy-2-phenylmethoxy-propyl)sulfonylpropyl]azanium Openeye Name: 3-(2-benzyloxy-3-octadecoxy-propyl)sulfonylpropyl-trimethyl-ammonium; methanesulfonate CAS Name: methanesulfonate; trimethyl-[3-(3-octadecoxy-2-phenylmethoxypropyl)sulfonylpropyl]ammonium IUPAC Name: methanesulfonate; trimethyl-[3-(3-octadecoxy-2-phenylmethoxypropyl)sulfonylpropyl]azanium Traditional Name: 3-(2-benzoxy-3-stearyloxy-propyl)sulfonylpropyl-trimethyl-ammonium mesylate Formula: C35H67NO7S2 MolecularWeight: 678.03898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CS(=O)(=O)CCC[N+](C)(C)C)OCC1=CC=CC=C1.CS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CS(=O)(=O)CCC[N+](C)(C)C)OCC1=CC=CC=C1.CS(=O)(=O)[O-]

InChI

InChI=1S/C34H64NO4S.CH4O3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28-38-31-34(39-30-33-25-21-20-22-26-33)32-40(36,37)29-24-27-35(2,3)4;1-5(2,3)4/h20-22,25-26,34H,5-19,23-24,27-32H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1