1-hexylpyridin-1-ium-4-carbonitrile chloride

Systemtic Name: 1-hexylpyridin-1-ium-4-carbonitrile chloride Openeye Name: 1-hexylpyridin-1-ium-4-carbonitrile chloride CAS Name: 1-hexyl-4-pyridin-1-iumcarbonitrile chloride IUPAC Name: 1-hexylpyridin-1-ium-4-carbonitrile chloride Traditional Name: 1-hexylpyridin-1-ium-4-carbonitrile chloride Formula: C12H17ClN2 MolecularWeight: 224.72978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N2.ClH/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