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methyl-dioctadecyl-(phenylmethyl)azanium chloride

methyl-dioctadecyl-(phenylmethyl)azanium chloride

Systemtic Name:methyl-dioctadecyl-(phenylmethyl)azanium chloride
Openeye Name:benzyl-methyl-dioctadecyl-ammonium chloride
CAS Name:methyl-dioctadecyl-(phenylmethyl)ammonium chloride
IUPAC Name:benzyl-methyl-dioctadecylazanium chloride
Traditional Name:benzyl-methyl-distearyl-ammonium chloride
Formula: C44H84ClN
MolecularWeight: 662.59746
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C44H84N.ClH/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-37-41-45(3,43-44-39-35-34-36-40-44)42-38-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;/h34-36,39-40H,4-33,37-38,41-43H2,1-3H3;1H/q+1;/p-1


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