2-hydroxyethyl-methyl-di(octadecan-3-yl)azanium; methyl sulfate

Systemtic Name: 2-hydroxyethyl-methyl-di(octadecan-3-yl)azanium; methyl sulfate Openeye Name: bis(1-ethylhexadecyl)-(2-hydroxyethyl)-methyl-ammonium; methyl sulfate CAS Name: 2-hydroxyethyl-methyl-di(octadecan-3-yl)ammonium; methyl sulfate IUPAC Name: 2-hydroxyethyl-methyl-di(octadecan-3-yl)azanium; methyl sulfate Traditional Name: bis(1-ethylhexadecyl)-(2-hydroxyethyl)-methyl-ammonium; methyl sulfate Formula: C40H85NO5S MolecularWeight: 692.1716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CC)[N+](C)(CCO)C(CC)CCCCCCCCCCCCCCC.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(CC)[N+](C)(CCO)C(CC)CCCCCCCCCCCCCCC.COS(=O)(=O)[O-]

InChI

InChI=1S/C39H82NO.CH4O4S/c1-6-10-12-14-16-18-20-22-24-26-28-30-32-34-38(8-3)40(5,36-37-41)39(9-4)35-33-31-29-27-25-23-21-19-17-15-13-11-7-2;1-5-6(2,3)4/h38-39,41H,6-37H2,1-5H3;1H3,(H,2,3,4)/q+1;/p-1