1-hexadecylpyridin-1-ium ethanoate

Systemtic Name: 1-hexadecylpyridin-1-ium ethanoate Openeye Name: 1-hexadecylpyridin-1-ium acetate CAS Name: 1-hexadecylpyridin-1-ium acetate IUPAC Name: 1-hexadecylpyridin-1-ium acetate Traditional Name: 1-cetylpyridin-1-ium acetate Formula: C23H41NO2 MolecularWeight: 363.57714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.CC(=O)[O-]

InChI

InChI=1S/C21H38N.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;1-2(3)4/h15,17-18,20-21H,2-14,16,19H2,1H3;1H3,(H,3,4)/q+1;/p-1