6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridine-3-carbonitrile

Systemtic Name: 6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridine-3-carbonitrile Openeye Name: 6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridine-3-carbonitrile CAS Name: 6-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridine-3-carbonitrile Traditional Name: 6-(4-pyridin-1-ium-2-ylpiperazino)nicotinonitrile Formula: C15H16N5+ MolecularWeight: 266.32104

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C#N)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C#N)C3=CC=CC=[NH+]3

InChI

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