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

Systemtic Name: 1-[4-(3-cyanopyridin-1-ium-1-yl)but-2-ynyl]pyridin-1-ium-3-carbonitrile dichloride Openeye Name: 1-[4-(3-cyanopyridin-1-ium-1-yl)but-2-ynyl]pyridin-1-ium-3-carbonitrile dichloride CAS Name: 1-[4-(3-cyano-1-pyridin-1-iumyl)but-2-ynyl]-3-pyridin-1-iumcarbonitrile dichloride IUPAC Name: 1-[4-(3-cyanopyridin-1-ium-1-yl)but-2-ynyl]pyridin-1-ium-3-carbonitrile dichloride Traditional Name: 1-[4-(3-cyanopyridin-1-ium-1-yl)but-2-ynyl]pyridin-1-ium-3-carbonitrile dichloride Formula: C16H12Cl2N4 MolecularWeight: 331.19928

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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.[Cl-].[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C16H12N4.2ClH/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;2*1H/q+2;;/p-2