1-(1-hexadecylpyridin-1-ium-4-yl)ethanone bromide

Systemtic Name: 1-(1-hexadecylpyridin-1-ium-4-yl)ethanone bromide Openeye Name: 1-(1-hexadecylpyridin-1-ium-4-yl)ethanone bromide CAS Name: 1-(1-hexadecyl-4-pyridin-1-iumyl)ethanone bromide IUPAC Name: 1-(1-hexadecylpyridin-1-ium-4-yl)ethanone bromide Traditional Name: 1-(1-cetylpyridin-1-ium-4-yl)ethanone bromide Formula: C23H40BrNO MolecularWeight: 426.4738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H40NO.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-20-17-23(18-21-24)22(2)25;/h17-18,20-21H,3-16,19H2,1-2H3;1H/q+1;/p-1