methyl(trioctyl)azanium ethanoate

Systemtic Name: methyl(trioctyl)azanium ethanoate Openeye Name: methyl(trioctyl)ammonium acetate CAS Name: methyl(trioctyl)ammonium acetate IUPAC Name: methyl(trioctyl)azanium acetate Traditional Name: methyl(trioctyl)ammonium acetate Formula: C27H57NO2 MolecularWeight: 427.74698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H54N.C2H4O2/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;1-2(3)4/h5-25H2,1-4H3;1H3,(H,3,4)/q+1;/p-1