1-undecylpyridin-1-ium-3-carbonitrile bromide

Systemtic Name: 1-undecylpyridin-1-ium-3-carbonitrile bromide Openeye Name: 1-undecylpyridin-1-ium-3-carbonitrile bromide CAS Name: 1-undecyl-3-pyridin-1-iumcarbonitrile bromide IUPAC Name: 1-undecylpyridin-1-ium-3-carbonitrile bromide Traditional Name: 1-undecylpyridin-1-ium-3-carbonitrile bromide Formula: C17H27BrN2 MolecularWeight: 339.31368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N2.BrH/c1-2-3-4-5-6-7-8-9-10-13-19-14-11-12-17(15-18)16-19;/h11-12,14,16H,2-10,13H2,1H3;1H/q+1;/p-1