2-hydroxyethyl-methyl-di(octadecanoyl)azanium; methyl sulfate

Systemtic Name: 2-hydroxyethyl-methyl-di(octadecanoyl)azanium; methyl sulfate Openeye Name: 2-hydroxyethyl-methyl-di(octadecanoyl)ammonium; methyl sulfate CAS Name: 2-hydroxyethyl-methyl-bis(1-oxooctadecyl)ammonium; methyl sulfate IUPAC Name: 2-hydroxyethyl-methyl-di(octadecanoyl)azanium; methyl sulfate Traditional Name: 2-hydroxyethyl-methyl-distearoyl-ammonium; methyl sulfate Formula: C40H81NO7S MolecularWeight: 720.13864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H78NO3.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38(42)40(3,36-37-41)39(43)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h41H,4-37H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1