bis(2-hydroxyethyl)-methyl-(2-oxidanylpentadecyl)azanium; methyl sulfate

Systemtic Name: bis(2-hydroxyethyl)-methyl-(2-oxidanylpentadecyl)azanium; methyl sulfate Openeye Name: bis(2-hydroxyethyl)-(2-hydroxypentadecyl)-methyl-ammonium; methyl sulfate CAS Name: bis(2-hydroxyethyl)-(2-hydroxypentadecyl)-methylammonium; methyl sulfate IUPAC Name: bis(2-hydroxyethyl)-(2-hydroxypentadecyl)-methylazanium; methyl sulfate Traditional Name: bis(2-hydroxyethyl)-(2-hydroxypentadecyl)-methyl-ammonium; methyl sulfate Formula: C21H47NO7S MolecularWeight: 457.66538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H44NO3.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-20(24)19-21(2,15-17-22)16-18-23;1-5-6(2,3)4/h20,22-24H,3-19H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1