10-nonanoyloxydodecyl(tritriacontan-17-yl)azanium chloride

Systemtic Name: 10-nonanoyloxydodecyl(tritriacontan-17-yl)azanium chloride Openeye Name: 1-hexadecylheptadecyl(10-nonanoyloxydodecyl)ammonium chloride CAS Name: 10-(1-oxononoxy)dodecyl-tritriacontan-17-ylammonium chloride IUPAC Name: 10-nonanoyloxydodecyl(tritriacontan-17-yl)azanium chloride Traditional Name: 1-cetylheptadecyl(10-pelargonyloxydodecyl)ammonium chloride Formula: C54H110ClNO2 MolecularWeight: 840.9097

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)[NH2+]CCCCCCCCCC(CC)OC(=O)CCCCCCCC.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)[NH2+]CCCCCCCCCC(CC)OC(=O)CCCCCCCC.[Cl-]

InChI

InChI=1S/C54H109NO2.ClH/c1-5-9-12-15-18-20-22-24-26-28-30-33-37-42-47-52(48-43-38-34-31-29-27-25-23-21-19-16-13-10-6-2)55-51-46-41-36-32-35-39-44-49-53(8-4)57-54(56)50-45-40-17-14-11-7-3;/h52-53,55H,5-51H2,1-4H3;1H