diethyl-hexadecanoyl-oxidanyl-azanium; methyl sulfate

Systemtic Name: diethyl-hexadecanoyl-oxidanyl-azanium; methyl sulfate Openeye Name: diethyl-hexadecanoyl-hydroxy-ammonium; methyl sulfate CAS Name: diethyl-hydroxy-(1-oxohexadecyl)ammonium; methyl sulfate IUPAC Name: diethyl-hexadecanoyl-hydroxyazanium; methyl sulfate Traditional Name: diethyl-hexadecanoyl-hydroxy-ammonium; methyl sulfate Formula: C21H45NO6S MolecularWeight: 439.6501

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H42NO2.CH4O4S/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21(23,5-2)6-3;1-5-6(2,3)4/h23H,4-19H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1