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4-carboxyhexyl(trioctadecyl)azanium chloride

4-carboxyhexyl(trioctadecyl)azanium chloride

Systemtic Name:4-carboxyhexyl(trioctadecyl)azanium chloride
Openeye Name:4-carboxyhexyl(trioctadecyl)ammonium chloride
CAS Name:4-carboxyhexyl(trioctadecyl)ammonium chloride
IUPAC Name:4-carboxyhexyl(trioctadecyl)azanium chloride
Traditional Name:4-carboxyhexyl(tristearyl)ammonium chloride
Formula: C61H124ClNO2
MolecularWeight: 939.09576
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C61H123NO2.ClH/c1-5-9-12-15-18-21-24-27-30-33-36-39-42-45-48-51-56-62(59-54-55-60(8-4)61(63)64,57-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-6-2)58-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-7-3;/h60H,5-59H2,1-4H3;1H


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