3-[3-(12-cyclohexyldodecoxy)-2-methoxy-propyl]sulfonylpropyl-trimethyl-azanium; methanesulfonate

Systemtic Name: 3-[3-(12-cyclohexyldodecoxy)-2-methoxy-propyl]sulfonylpropyl-trimethyl-azanium; methanesulfonate Openeye Name: 3-[3-(12-cyclohexyldodecoxy)-2-methoxy-propyl]sulfonylpropyl-trimethyl-ammonium; methanesulfonate CAS Name: 3-[3-(12-cyclohexyldodecoxy)-2-methoxypropyl]sulfonylpropyl-trimethylammonium; methanesulfonate IUPAC Name: 3-[3-(12-cyclohexyldodecoxy)-2-methoxypropyl]sulfonylpropyl-trimethylazanium; methanesulfonate Traditional Name: 3-[3-(12-cyclohexyldodecoxy)-2-methoxy-propyl]sulfonylpropyl-trimethyl-ammonium mesylate Formula: C29H61NO7S2 MolecularWeight: 599.92714

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCS(=O)(=O)CC(COCCCCCCCCCCCCC1CCCCC1)OC.CS(=O)(=O)[O-]

Isomeric SMILES

C[N+](C)(C)CCCS(=O)(=O)CC(COCCCCCCCCCCCCC1CCCCC1)OC.CS(=O)(=O)[O-]

InChI

InChI=1S/C28H58NO4S.CH4O3S/c1-29(2,3)22-18-24-34(30,31)26-28(32-4)25-33-23-17-12-10-8-6-5-7-9-11-14-19-27-20-15-13-16-21-27;1-5(2,3)4/h27-28H,5-26H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1