bis(2-hydroxyethyl)-methyl-(3-octoxy-2-oxidanyl-propyl)azanium; methyl sulfate

Systemtic Name: bis(2-hydroxyethyl)-methyl-(3-octoxy-2-oxidanyl-propyl)azanium; methyl sulfate Openeye Name: bis(2-hydroxyethyl)-(2-hydroxy-3-octoxy-propyl)-methyl-ammonium; methyl sulfate CAS Name: bis(2-hydroxyethyl)-(2-hydroxy-3-octoxypropyl)-methylammonium; methyl sulfate IUPAC Name: bis(2-hydroxyethyl)-(2-hydroxy-3-octoxypropyl)-methylazanium; methyl sulfate Traditional Name: bis(2-hydroxyethyl)-(2-hydroxy-3-octoxy-propyl)-methyl-ammonium; methyl sulfate Formula: C17H39NO8S MolecularWeight: 417.55846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOCC(C[N+](C)(CCO)CCO)O.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCOCC(C[N+](C)(CCO)CCO)O.COS(=O)(=O)[O-]

InChI

InChI=1S/C16H36NO4.CH4O4S/c1-3-4-5-6-7-8-13-21-15-16(20)14-17(2,9-11-18)10-12-19;1-5-6(2,3)4/h16,18-20H,3-15H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1