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

Systemtic Name: methyl sulfate; methyl-tris[2-(2-oxidanyltetradecoxy)ethyl]azanium Openeye Name: methyl sulfate; tris[2-(2-hydroxytetradecoxy)ethyl]-methyl-ammonium CAS Name: methyl sulfate; tris[2-(2-hydroxytetradecoxy)ethyl]-methylammonium IUPAC Name: methyl sulfate; tris[2-(2-hydroxytetradecoxy)ethyl]-methylazanium Traditional Name: methyl sulfate; tris[2-(2-hydroxytetradecoxy)ethyl]-methyl-ammonium Formula: C50H105NO10S MolecularWeight: 912.4344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(COCC[N+](C)(CCOCC(CCCCCCCCCCCC)O)CCOCC(CCCCCCCCCCCC)O)O.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC(COCC[N+](C)(CCOCC(CCCCCCCCCCCC)O)CCOCC(CCCCCCCCCCCC)O)O.COS(=O)(=O)[O-]

InChI

InChI=1S/C49H102NO6.CH4O4S/c1-5-8-11-14-17-20-23-26-29-32-35-47(51)44-54-41-38-50(4,39-42-55-45-48(52)36-33-30-27-24-21-18-15-12-9-6-2)40-43-56-46-49(53)37-34-31-28-25-22-19-16-13-10-7-3;1-5-6(2,3)4/h47-49,51-53H,5-46H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1