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

Systemtic Name: ethyl-[3-(2-hydroxyethyl)-1-oxidanyl-icosan-3-yl]azanium; ethyl sulfate Openeye Name: 1,1-bis(2-hydroxyethyl)octadecyl-ethyl-ammonium; ethyl sulfate CAS Name: ethyl-[1-hydroxy-3-(2-hydroxyethyl)eicosan-3-yl]ammonium; ethyl sulfate IUPAC Name: ethyl-[1-hydroxy-3-(2-hydroxyethyl)icosan-3-yl]azanium; ethyl sulfate Traditional Name: 1,1-bis(2-hydroxyethyl)octadecyl-ethyl-ammonium; ethyl sulfate Formula: C26H57NO6S MolecularWeight: 511.79888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(CCO)(CCO)[NH2+]CC.CCOS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(CCO)(CCO)[NH2+]CC.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C24H51NO2.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(20-22-26,21-23-27)25-4-2;1-2-6-7(3,4)5/h25-27H,3-23H2,1-2H3;2H2,1H3,(H,3,4,5)