2-azanyl-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[4-(2-pyridin-1-iumyl)-1-piperazinyl]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-(4-pyridin-1-ium-2-ylpiperazino)pyridin-1-ium-3,5-dicarbonitrile Formula: C16H17N7+2 MolecularWeight: 307.35308

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C3=[NH+]C(=C(C=C3C#N)C#N)N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C3=[NH+]C(=C(C=C3C#N)C#N)N

InChI

InChI=1S/C16H15N7/c17-10-12-9-13(11-18)16(21-15(12)19)23-7-5-22(6-8-23)14-3-1-2-4-20-14/h1-4,9H,5-8H2,(H2,19,21)/p+2