methyl sulfate; methyl-tris[2-(2-oxidanyldodecoxy)ethyl]azanium

Systemtic Name: methyl sulfate; methyl-tris[2-(2-oxidanyldodecoxy)ethyl]azanium Openeye Name: methyl sulfate; tris[2-(2-hydroxydodecoxy)ethyl]-methyl-ammonium CAS Name: methyl sulfate; tris[2-(2-hydroxydodecoxy)ethyl]-methylammonium IUPAC Name: methyl sulfate; tris[2-(2-hydroxydodecoxy)ethyl]-methylazanium Traditional Name: methyl sulfate; tris[2-(2-hydroxydodecoxy)ethyl]-methyl-ammonium Formula: C44H93NO10S MolecularWeight: 828.27492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(COCC[N+](C)(CCOCC(CCCCCCCCCC)O)CCOCC(CCCCCCCCCC)O)O.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCC(COCC[N+](C)(CCOCC(CCCCCCCCCC)O)CCOCC(CCCCCCCCCC)O)O.COS(=O)(=O)[O-]

InChI

InChI=1S/C43H90NO6.CH4O4S/c1-5-8-11-14-17-20-23-26-29-41(45)38-48-35-32-44(4,33-36-49-39-42(46)30-27-24-21-18-15-12-9-6-2)34-37-50-40-43(47)31-28-25-22-19-16-13-10-7-3;1-5-6(2,3)4/h41-43,45-47H,5-40H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1