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trioctadecyl-(phenylmethyl)azanium chloride

trioctadecyl-(phenylmethyl)azanium chloride

Systemtic Name:trioctadecyl-(phenylmethyl)azanium chloride
Openeye Name:benzyl(trioctadecyl)ammonium chloride
CAS Name:trioctadecyl-(phenylmethyl)ammonium chloride
IUPAC Name:benzyl(trioctadecyl)azanium chloride
Traditional Name:benzyl(tristearyl)ammonium chloride
Formula: C61H118ClN
MolecularWeight: 901.04932
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCC)CC1=CC=CC=C1.[Cl-]


Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCC)CC1=CC=CC=C1.[Cl-]


InChI

InChI=1S/C61H118N.ClH/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-52-57-62(60-61-55-50-49-51-56-61,58-53-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)59-54-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3;/h49-51,55-56H,4-48,52-54,57-60H2,1-3H3;1H/q+1;/p-1


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