1-hexadecylpyridin-1-ium-4-carbonitrile bromide

Systemtic Name: 1-hexadecylpyridin-1-ium-4-carbonitrile bromide Openeye Name: 1-hexadecylpyridin-1-ium-4-carbonitrile bromide CAS Name: 1-hexadecyl-4-pyridin-1-iumcarbonitrile bromide IUPAC Name: 1-hexadecylpyridin-1-ium-4-carbonitrile bromide Traditional Name: 1-cetylpyridin-1-ium-4-carbonitrile bromide Formula: C22H37BrN2 MolecularWeight: 409.44658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H37N2.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-19-16-22(21-23)17-20-24;/h16-17,19-20H,2-15,18H2,1H3;1H/q+1;/p-1