methanesulfonate; 4-(2-methoxy-3-octadecoxy-propyl)sulfonylbutyl-trimethyl-azanium

Systemtic Name: methanesulfonate; 4-(2-methoxy-3-octadecoxy-propyl)sulfonylbutyl-trimethyl-azanium Openeye Name: methanesulfonate; 4-(2-methoxy-3-octadecoxy-propyl)sulfonylbutyl-trimethyl-ammonium CAS Name: methanesulfonate; 4-(2-methoxy-3-octadecoxypropyl)sulfonylbutyl-trimethylammonium IUPAC Name: methanesulfonate; 4-(2-methoxy-3-octadecoxypropyl)sulfonylbutyl-trimethylazanium Traditional Name: 4-(2-methoxy-3-stearyloxy-propyl)sulfonylbutyl-trimethyl-ammonium mesylate Formula: C30H65NO7S2 MolecularWeight: 615.9696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H62NO4S.CH4O3S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-34-27-29(33-5)28-35(31,32)26-23-21-24-30(2,3)4;1-5(2,3)4/h29H,6-28H2,1-5H3;1H3,(H,2,3,4)/q+1;/p-1