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dihexadecyl-(1-hydroxyethyl)-methyl-azanium; methyl sulfate

dihexadecyl-(1-hydroxyethyl)-methyl-azanium; methyl sulfate

Systemtic Name:dihexadecyl-(1-hydroxyethyl)-methyl-azanium; methyl sulfate
Openeye Name:dihexadecyl-(1-hydroxyethyl)-methyl-ammonium; methyl sulfate
CAS Name:dihexadecyl-(1-hydroxyethyl)-methylammonium; methyl sulfate
IUPAC Name:dihexadecyl-(1-hydroxyethyl)-methylazanium; methyl sulfate
Traditional Name:dicetyl-(1-hydroxyethyl)-methyl-ammonium; methyl sulfate
Formula: C36H77NO5S
MolecularWeight: 636.06528
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C35H74NO.CH4O4S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36(4,35(3)37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-5-6(2,3)4/h35,37H,5-34H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1


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