2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridine-4-carbonitrile

Systemtic Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridine-4-carbonitrile Openeye Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridine-4-carbonitrile CAS Name: 2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridine-4-carbonitrile Traditional Name: 2-(4-pyridin-1-ium-2-ylpiperazino)isonicotinonitrile Formula: C15H16N5+ MolecularWeight: 266.32104

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C3=NC=CC(=C3)C#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C3=NC=CC(=C3)C#N

InChI

InChI=1S/C15H15N5/c16-12-13-4-6-18-15(11-13)20-9-7-19(8-10-20)14-3-1-2-5-17-14/h1-6,11H,7-10H2/p+1