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chloromethyl-dihexadecyl-methyl-azanium ethanoate

chloromethyl-dihexadecyl-methyl-azanium ethanoate

Systemtic Name:chloromethyl-dihexadecyl-methyl-azanium ethanoate
Openeye Name:chloromethyl-dihexadecyl-methyl-ammonium acetate
CAS Name:chloromethyl-dihexadecyl-methylammonium acetate
IUPAC Name:chloromethyl-dihexadecyl-methylazanium acetate
Traditional Name:dicetyl-(chloromethyl)-methyl-ammonium acetate
Formula: C36H74ClNO2
MolecularWeight: 588.43126
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C34H71ClN.C2H4O2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-36(3,34-35)33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-2(3)4/h4-34H2,1-3H3;1H3,(H,3,4)/q+1;/p-1


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