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trioctadecyl-(phenylmethyl)azanium

trioctadecyl-(phenylmethyl)azanium

Systemtic Name:trioctadecyl-(phenylmethyl)azanium
Openeye Name:benzyl(trioctadecyl)ammonium
CAS Name:trioctadecyl-(phenylmethyl)ammonium
IUPAC Name:benzyl(trioctadecyl)azanium
Traditional Name:benzyl(tristearyl)ammonium
Formula: C61H118N+
MolecularWeight: 865.59632
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCC)CC1=CC=CC=C1


Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCC)CC1=CC=CC=C1


InChI

InChI=1S/C61H118N/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/q+1


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