2-dodecanoyloxyethyl(hentetracontan-21-yl)azanium chloride

Systemtic Name: 2-dodecanoyloxyethyl(hentetracontan-21-yl)azanium chloride Openeye Name: 2-dodecanoyloxyethyl(1-icosylhenicosyl)ammonium chloride CAS Name: hentetracontan-21-yl-[2-(1-oxododecoxy)ethyl]ammonium chloride IUPAC Name: 2-dodecanoyloxyethyl(hentetracontan-21-yl)azanium chloride Traditional Name: 1-arachylheneicosyl(2-lauroyloxyethyl)ammonium chloride Formula: C55H112ClNO2 MolecularWeight: 854.93628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCCCC)[NH2+]CCOC(=O)CCCCCCCCCCC.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCCCC)[NH2+]CCOC(=O)CCCCCCCCCCC.[Cl-]

InChI

InChI=1S/C55H111NO2.ClH/c1-4-7-10-13-16-19-21-23-25-27-29-31-33-35-38-40-43-46-49-54(56-52-53-58-55(57)51-48-45-42-37-18-15-12-9-6-3)50-47-44-41-39-36-34-32-30-28-26-24-22-20-17-14-11-8-5-2;/h54,56H,4-53H2,1-3H3;1H