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dioctadecyl(3-oxidanylbutyl)azanium; methyl sulfate

dioctadecyl(3-oxidanylbutyl)azanium; methyl sulfate

Systemtic Name:dioctadecyl(3-oxidanylbutyl)azanium; methyl sulfate
Openeye Name:3-hydroxybutyl(dioctadecyl)ammonium; methyl sulfate
CAS Name:3-hydroxybutyl(dioctadecyl)ammonium; methyl sulfate
IUPAC Name:3-hydroxybutyl(dioctadecyl)azanium; methyl sulfate
Traditional Name:3-hydroxybutyl(distearyl)ammonium; methyl sulfate
Formula: C41H87NO5S
MolecularWeight: 706.19818
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[NH+](CCCCCCCCCCCCCCCCCC)CCC(C)O.COS(=O)(=O)[O-]


Isomeric SMILES

CCCCCCCCCCCCCCCCCC[NH+](CCCCCCCCCCCCCCCCCC)CCC(C)O.COS(=O)(=O)[O-]


InChI

InChI=1S/C40H83NO.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-37-41(39-36-40(3)42)38-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h40,42H,4-39H2,1-3H3;1H3,(H,2,3,4)


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