didodecyl(diethyl)azanium; methyl sulfate

Systemtic Name: didodecyl(diethyl)azanium; methyl sulfate Openeye Name: didodecyl(diethyl)ammonium; methyl sulfate CAS Name: didodecyl(diethyl)ammonium; methyl sulfate IUPAC Name: didodecyl(diethyl)azanium; methyl sulfate Traditional Name: diethyl(dilauryl)ammonium; methyl sulfate Formula: C29H63NO4S MolecularWeight: 521.87982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H60N.CH4O4S/c1-5-9-11-13-15-17-19-21-23-25-27-29(7-3,8-4)28-26-24-22-20-18-16-14-12-10-6-2;1-5-6(2,3)4/h5-28H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1