methyl sulfate; methyl-tris(2-octadecanoyloxyethyl)azanium

Systemtic Name: methyl sulfate; methyl-tris(2-octadecanoyloxyethyl)azanium Openeye Name: methyl sulfate; methyl-tris(2-octadecanoyloxyethyl)ammonium CAS Name: methyl sulfate; methyl-tris[2-(1-oxooctadecoxy)ethyl]ammonium IUPAC Name: methyl sulfate; methyl-tris(2-octadecanoyloxyethyl)azanium Traditional Name: methyl sulfate; methyl-tris(2-stearoyloxyethyl)ammonium Formula: C62H123NO10S MolecularWeight: 1074.70572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(CCOC(=O)CCCCCCCCCCCCCCCCC)CCOC(=O)CCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(CCOC(=O)CCCCCCCCCCCCCCCCC)CCOC(=O)CCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-]

InChI

InChI=1S/C61H120NO6.CH4O4S/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-47-50-59(63)66-56-53-62(4,54-57-67-60(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-2)55-58-68-61(65)52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-3;1-5-6(2,3)4/h5-58H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1