di(dotetracontan-21-yl)-dimethyl-azanium chloride

Systemtic Name: di(dotetracontan-21-yl)-dimethyl-azanium chloride Openeye Name: bis(1-icosyldocosyl)-dimethyl-ammonium chloride CAS Name: di(dotetracontan-21-yl)-dimethylammonium chloride IUPAC Name: di(dotetracontan-21-yl)-dimethylazanium chloride Traditional Name: bis(1-arachyldocosyl)-dimethyl-ammonium chloride Formula: C86H176ClN MolecularWeight: 1259.77734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCCCC)[N+](C)(C)C(CCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCCCC)[N+](C)(C)C(CCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC.[Cl-]

InChI

InChI=1S/C86H176N.ClH/c1-7-11-15-19-23-27-31-35-39-43-47-51-55-59-63-67-71-75-79-83-85(81-77-73-69-65-61-57-53-49-45-41-37-33-29-25-21-17-13-9-3)87(5,6)86(82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-4)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-2;/h85-86H,7-84H2,1-6H3;1H/q+1;/p-1