1-pentadecylpyridin-1-ium-4-carbonitrile bromide

Systemtic Name: 1-pentadecylpyridin-1-ium-4-carbonitrile bromide Openeye Name: 1-pentadecylpyridin-1-ium-4-carbonitrile bromide CAS Name: 1-pentadecyl-4-pyridin-1-iumcarbonitrile bromide IUPAC Name: 1-pentadecylpyridin-1-ium-4-carbonitrile bromide Traditional Name: 1-pentadecylpyridin-1-ium-4-carbonitrile bromide Formula: C21H35BrN2 MolecularWeight: 395.42

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N2.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-23-18-15-21(20-22)16-19-23;/h15-16,18-19H,2-14,17H2,1H3;1H/q+1;/p-1