1-(2-pyridin-2-ylethyl)pyridin-1-ium-4-carbonitrile chloride

Systemtic Name: 1-(2-pyridin-2-ylethyl)pyridin-1-ium-4-carbonitrile chloride Openeye Name: 1-[2-(2-pyridyl)ethyl]pyridin-1-ium-4-carbonitrile chloride CAS Name: 1-[2-(2-pyridinyl)ethyl]-4-pyridin-1-iumcarbonitrile chloride IUPAC Name: 1-(2-pyridin-2-ylethyl)pyridin-1-ium-4-carbonitrile chloride Traditional Name: 1-[2-(2-pyridyl)ethyl]pyridin-1-ium-4-carbonitrile chloride Formula: C13H12ClN3 MolecularWeight: 245.70748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CC[N+]2=CC=C(C=C2)C#N.[Cl-]

Isomeric SMILES

C1=CC=NC(=C1)CC[N+]2=CC=C(C=C2)C#N.[Cl-]

InChI

InChI=1S/C13H12N3.ClH/c14-11-12-4-8-16(9-5-12)10-6-13-3-1-2-7-15-13;/h1-5,7-9H,6,10H2;1H/q+1;/p-1