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

Systemtic Name: 2-hydroxyethyl-methyl-di(tetradecan-3-yl)azanium; methyl sulfate Openeye Name: bis(1-ethyldodecyl)-(2-hydroxyethyl)-methyl-ammonium; methyl sulfate CAS Name: 2-hydroxyethyl-methyl-di(tetradecan-3-yl)ammonium; methyl sulfate IUPAC Name: 2-hydroxyethyl-methyl-di(tetradecan-3-yl)azanium; methyl sulfate Traditional Name: bis(1-ethyldodecyl)-(2-hydroxyethyl)-methyl-ammonium; methyl sulfate Formula: C32H69NO5S MolecularWeight: 579.95896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC)[N+](C)(CCO)C(CC)CCCCCCCCCCC.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC(CC)[N+](C)(CCO)C(CC)CCCCCCCCCCC.COS(=O)(=O)[O-]

InChI

InChI=1S/C31H66NO.CH4O4S/c1-6-10-12-14-16-18-20-22-24-26-30(8-3)32(5,28-29-33)31(9-4)27-25-23-21-19-17-15-13-11-7-2;1-5-6(2,3)4/h30-31,33H,6-29H2,1-5H3;1H3,(H,2,3,4)/q+1;/p-1