ethyl-hexadecyl-(2-oxidanylpropyl)azanium; methyl sulfate

Systemtic Name: ethyl-hexadecyl-(2-oxidanylpropyl)azanium; methyl sulfate Openeye Name: ethyl-hexadecyl-(2-hydroxypropyl)ammonium; methyl sulfate CAS Name: ethyl-hexadecyl-(2-hydroxypropyl)ammonium; methyl sulfate IUPAC Name: ethyl-hexadecyl-(2-hydroxypropyl)azanium; methyl sulfate Traditional Name: cetyl-ethyl-(2-hydroxypropyl)ammonium; methyl sulfate Formula: C22H49NO5S MolecularWeight: 439.69316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[NH+](CC)CC(C)O.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[NH+](CC)CC(C)O.COS(=O)(=O)[O-]

InChI

InChI=1S/C21H45NO.CH4O4S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(5-2)20-21(3)23;1-5-6(2,3)4/h21,23H,4-20H2,1-3H3;1H3,(H,2,3,4)