1-heptylpyridin-1-ium-4-carbonitrile bromide

Systemtic Name: 1-heptylpyridin-1-ium-4-carbonitrile bromide Openeye Name: 1-heptylpyridin-1-ium-4-carbonitrile bromide CAS Name: 1-heptyl-4-pyridin-1-iumcarbonitrile bromide IUPAC Name: 1-heptylpyridin-1-ium-4-carbonitrile bromide Traditional Name: 1-heptylpyridin-1-ium-4-carbonitrile bromide Formula: C13H19BrN2 MolecularWeight: 283.20736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N2.BrH/c1-2-3-4-5-6-9-15-10-7-13(12-14)8-11-15;/h7-8,10-11H,2-6,9H2,1H3;1H/q+1;/p-1