[3-(2-hydroxyethyl)-1-oxidanyl-henicosan-4-yl]azanium; methyl sulfate

Systemtic Name: [3-(2-hydroxyethyl)-1-oxidanyl-henicosan-4-yl]azanium; methyl sulfate Openeye Name: 1-[3-hydroxy-1-(2-hydroxyethyl)propyl]octadecylammonium; methyl sulfate CAS Name: [1-hydroxy-3-(2-hydroxyethyl)heneicosan-4-yl]ammonium; methyl sulfate IUPAC Name: [1-hydroxy-3-(2-hydroxyethyl)henicosan-4-yl]azanium; methyl sulfate Traditional Name: 1-[3-hydroxy-1-(2-hydroxyethyl)propyl]octadecylammonium; methyl sulfate Formula: C24H53NO6S MolecularWeight: 483.74572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(C(CCO)CCO)[NH3+].COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(C(CCO)CCO)[NH3+].COS(=O)(=O)[O-]

InChI

InChI=1S/C23H49NO2.CH4O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(24)22(18-20-25)19-21-26;1-5-6(2,3)4/h22-23,25-26H,2-21,24H2,1H3;1H3,(H,2,3,4)