dimethyl-(1-octadecoxy-2-oxidanyl-henicosan-4-yl)azanium; methyl sulfate

Systemtic Name: dimethyl-(1-octadecoxy-2-oxidanyl-henicosan-4-yl)azanium; methyl sulfate Openeye Name: 1-(2-hydroxy-3-octadecoxy-propyl)octadecyl-dimethyl-ammonium; methyl sulfate CAS Name: (2-hydroxy-1-octadecoxyheneicosan-4-yl)-dimethylammonium; methyl sulfate IUPAC Name: (2-hydroxy-1-octadecoxyhenicosan-4-yl)-dimethylazanium; methyl sulfate Traditional Name: 1-(2-hydroxy-3-stearyloxy-propyl)octadecyl-dimethyl-ammonium; methyl sulfate Formula: C42H89NO6S MolecularWeight: 736.22416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CC(CCCCCCCCCCCCCCCCC)[NH+](C)C)O.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CC(CCCCCCCCCCCCCCCCC)[NH+](C)C)O.COS(=O)(=O)[O-]

InChI

InChI=1S/C41H85NO2.CH4O4S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44-39-41(43)38-40(42(3)4)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-5-6(2,3)4/h40-41,43H,5-39H2,1-4H3;1H3,(H,2,3,4)