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

Systemtic Name: bis(2-dodecanoyloxyethyl)-(2-hydroxyethyl)-methyl-azanium; methyl sulfate Openeye Name: bis(2-dodecanoyloxyethyl)-(2-hydroxyethyl)-methyl-ammonium; methyl sulfate CAS Name: 2-hydroxyethyl-methyl-bis[2-(1-oxododecoxy)ethyl]ammonium; methyl sulfate IUPAC Name: bis(2-dodecanoyloxyethyl)-(2-hydroxyethyl)-methylazanium; methyl sulfate Traditional Name: 2-hydroxyethyl-bis(2-lauroyloxyethyl)-methyl-ammonium; methyl sulfate Formula: C32H65NO9S MolecularWeight: 639.9248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H62NO5.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-30(34)36-28-25-32(3,24-27-33)26-29-37-31(35)23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h33H,4-29H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1