1-hexylpyridin-1-ium-3-carbonitrile

Systemtic Name: 1-hexylpyridin-1-ium-3-carbonitrile Openeye Name: 1-hexylpyridin-1-ium-3-carbonitrile CAS Name: 1-hexyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 1-hexylpyridin-1-ium-3-carbonitrile Traditional Name: 1-hexylpyridin-1-ium-3-carbonitrile Formula: C12H17N2+ MolecularWeight: 189.27678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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