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

Systemtic Name: 2-hydroxyethyl-methyl-bis(2-pentadecanoyloxyethyl)azanium; methyl sulfate Openeye Name: 2-hydroxyethyl-methyl-bis(2-pentadecanoyloxyethyl)ammonium; methyl sulfate CAS Name: 2-hydroxyethyl-methyl-bis[2-(1-oxopentadecoxy)ethyl]ammonium; methyl sulfate IUPAC Name: 2-hydroxyethyl-methyl-bis(2-pentadecanoyloxyethyl)azanium; methyl sulfate Traditional Name: 2-hydroxyethyl-methyl-bis(2-pentadecanoyloxyethyl)ammonium; methyl sulfate Formula: C38H77NO9S MolecularWeight: 724.08428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H74NO5.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-36(40)42-34-31-38(3,30-33-39)32-35-43-37(41)29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h39H,4-35H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1