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

Systemtic Name: [3-(2-hydroxyethyl)-1-oxidanyl-icosan-3-yl]-methyl-azanium; methyl sulfate Openeye Name: 1,1-bis(2-hydroxyethyl)octadecyl-methyl-ammonium; methyl sulfate CAS Name: [1-hydroxy-3-(2-hydroxyethyl)eicosan-3-yl]-methylammonium; methyl sulfate IUPAC Name: [1-hydroxy-3-(2-hydroxyethyl)icosan-3-yl]-methylazanium; methyl sulfate Traditional Name: 1,1-bis(2-hydroxyethyl)octadecyl-methyl-ammonium; methyl sulfate Formula: C24H53NO6S MolecularWeight: 483.74572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(CCO)(CCO)[NH2+]C.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(CCO)(CCO)[NH2+]C.COS(=O)(=O)[O-]

InChI

InChI=1S/C23H49NO2.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(24-2,19-21-25)20-22-26;1-5-6(2,3)4/h24-26H,3-22H2,1-2H3;1H3,(H,2,3,4)