methyl-(2-octadecanoyloxypropyl)-bis(2-oxidanylpropyl)azanium; methyl sulfate

Systemtic Name: methyl-(2-octadecanoyloxypropyl)-bis(2-oxidanylpropyl)azanium; methyl sulfate Openeye Name: bis(2-hydroxypropyl)-methyl-(2-octadecanoyloxypropyl)ammonium; methyl sulfate CAS Name: bis(2-hydroxypropyl)-methyl-[2-(1-oxooctadecoxy)propyl]ammonium; methyl sulfate IUPAC Name: bis(2-hydroxypropyl)-methyl-(2-octadecanoyloxypropyl)azanium; methyl sulfate Traditional Name: bis(2-hydroxypropyl)-methyl-(2-stearoyloxypropyl)ammonium; methyl sulfate Formula: C29H61NO8S MolecularWeight: 583.86154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(C)C[N+](C)(CC(C)O)CC(C)O.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(C)C[N+](C)(CC(C)O)CC(C)O.COS(=O)(=O)[O-]

InChI

InChI=1S/C28H58NO4.CH4O4S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28(32)33-27(4)24-29(5,22-25(2)30)23-26(3)31;1-5-6(2,3)4/h25-27,30-31H,6-24H2,1-5H3;1H3,(H,2,3,4)/q+1;/p-1