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dioctadecyl(1-phenylethyl)azanium chloride

dioctadecyl(1-phenylethyl)azanium chloride

Systemtic Name:dioctadecyl(1-phenylethyl)azanium chloride
Openeye Name:dioctadecyl(1-phenylethyl)ammonium chloride
CAS Name:dioctadecyl(1-phenylethyl)ammonium chloride
IUPAC Name:dioctadecyl(1-phenylethyl)azanium chloride
Traditional Name:1-phenylethyl(distearyl)ammonium chloride
Formula: C44H84ClN
MolecularWeight: 662.59746
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C44H83N.ClH/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-37-41-45(43(3)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;/h34-36,39-40,43H,4-33,37-38,41-42H2,1-3H3;1H


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