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trihexadecyl(methyl)azanium ethanoate

Systemtic Name:	trihexadecyl(methyl)azanium ethanoate
Openeye Name:	trihexadecyl(methyl)ammonium acetate
CAS Name:	trihexadecyl(methyl)ammonium acetate
IUPAC Name:	trihexadecyl(methyl)azanium acetate
Traditional Name:	tricetyl(methyl)ammonium acetate
Formula:	C₅₁H₁₀₅NO₂
MolecularWeight:	764.3849

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC.CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC.CC(=O)[O-]

InChI

InChI=1S/C49H102N.C2H4O2/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-47-50(4,48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-2)49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-3;1-2(3)4/h5-49H2,1-4H3;1H3,(H,3,4)/q+1;/p-1

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