1,1-bis(oxidanyl)ethyl-methyl-dioctadecyl-azanium chloride

Systemtic Name: 1,1-bis(oxidanyl)ethyl-methyl-dioctadecyl-azanium chloride Openeye Name: 1,1-dihydroxyethyl-methyl-dioctadecyl-ammonium chloride CAS Name: 1,1-dihydroxyethyl-methyl-dioctadecylammonium chloride IUPAC Name: 1,1-dihydroxyethyl-methyl-dioctadecylazanium chloride Traditional Name: 1,1-dihydroxyethyl-methyl-distearyl-ammonium chloride Formula: C39H82ClNO2 MolecularWeight: 632.52688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCCCC)C(C)(O)O.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCCCC)C(C)(O)O.[Cl-]

InChI

InChI=1S/C39H82NO2.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-40(4,39(3,41)42)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h41-42H,5-38H2,1-4H3;1H/q+1;/p-1