dimethyl(octadecyl)azanium; methyl sulfate

Systemtic Name: dimethyl(octadecyl)azanium; methyl sulfate Openeye Name: dimethyl(octadecyl)ammonium; methyl sulfate CAS Name: dimethyl(octadecyl)ammonium; methyl sulfate IUPAC Name: dimethyl(octadecyl)azanium; methyl sulfate Traditional Name: dimethyl(stearyl)ammonium; methyl sulfate Formula: C21H47NO4S MolecularWeight: 409.66718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H43N.CH4O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3;1-5-6(2,3)4/h4-20H2,1-3H3;1H3,(H,2,3,4)