2-hydroxyethyl-methyl-[19-methyl-18,20-bis(oxidanylidene)heptatriacontan-19-yl]azanium; methyl sulfate

Systemtic Name: 2-hydroxyethyl-methyl-[19-methyl-18,20-bis(oxidanylidene)heptatriacontan-19-yl]azanium; methyl sulfate Openeye Name: 2-hydroxyethyl-methyl-(1-methyl-1-octadecanoyl-2-oxo-nonadecyl)ammonium; methyl sulfate CAS Name: 2-hydroxyethyl-methyl-(19-methyl-18,20-dioxoheptatriacontan-19-yl)ammonium; methyl sulfate IUPAC Name: 2-hydroxyethyl-methyl-(19-methyl-18,20-dioxoheptatriacontan-19-yl)azanium; methyl sulfate Traditional Name: 2-hydroxyethyl-(2-keto-1-methyl-1-stearoyl-nonadecyl)-methyl-ammonium; methyl sulfate Formula: C42H85NO7S MolecularWeight: 748.1918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C41H81NO3.CH4O4S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39(44)41(3,42(4)37-38-43)40(45)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-5-6(2,3)4/h43H,5-38H2,1-4H3;1H3,(H,2,3,4)