1-hexylpyridin-1-ium-4-carbonitrile bromide

Systemtic Name: 1-hexylpyridin-1-ium-4-carbonitrile bromide Openeye Name: 1-hexylpyridin-1-ium-4-carbonitrile bromide CAS Name: 1-hexyl-4-pyridin-1-iumcarbonitrile bromide IUPAC Name: 1-hexylpyridin-1-ium-4-carbonitrile bromide Traditional Name: 1-hexylpyridin-1-ium-4-carbonitrile bromide Formula: C12H17BrN2 MolecularWeight: 269.18078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N2.BrH/c1-2-3-4-5-8-14-9-6-12(11-13)7-10-14;/h6-7,9-10H,2-5,8H2,1H3;1H/q+1;/p-1