1-[4-(3-cyanopyridin-1-ium-1-yl)but-2-ynyl]pyridin-1-ium-3-carbonitrile

Systemtic Name: 1-[4-(3-cyanopyridin-1-ium-1-yl)but-2-ynyl]pyridin-1-ium-3-carbonitrile Openeye Name: 1-[4-(3-cyanopyridin-1-ium-1-yl)but-2-ynyl]pyridin-1-ium-3-carbonitrile CAS Name: 1-[4-(3-cyano-1-pyridin-1-iumyl)but-2-ynyl]-3-pyridin-1-iumcarbonitrile IUPAC Name: 1-[4-(3-cyanopyridin-1-ium-1-yl)but-2-ynyl]pyridin-1-ium-3-carbonitrile Traditional Name: 1-[4-(3-cyanopyridin-1-ium-1-yl)but-2-ynyl]pyridin-1-ium-3-carbonitrile Formula: C16H12N4+2 MolecularWeight: 260.29328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC#CC[N+]2=CC=CC(=C2)C#N)C#N

Isomeric SMILES

C1=CC(=C[N+](=C1)CC#CC[N+]2=CC=CC(=C2)C#N)C#N

InChI

InChI=1S/C16H12N4/c17-11-15-5-3-9-19(13-15)7-1-2-8-20-10-4-6-16(12-18)14-20/h3-6,9-10,13-14H,7-8H2/q+2