2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridine-3-carbonitrile

Systemtic Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridine-3-carbonitrile Openeye Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridine-3-carbonitrile CAS Name: 2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridine-3-carbonitrile Traditional Name: 2-(4-pyridin-1-ium-2-ylpiperazino)nicotinonitrile Formula: C15H16N5+ MolecularWeight: 266.32104

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C3=C(C=CC=N3)C#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C3=C(C=CC=N3)C#N

InChI

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