2-azanyl-6-[4-(6-chloranylpyridin-1-ium-2-yl)piperazin-1-yl]pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[4-(6-chloranylpyridin-1-ium-2-yl)piperazin-1-yl]pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[4-(6-chloropyridin-1-ium-2-yl)piperazin-1-yl]pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[4-(6-chloro-2-pyridin-1-iumyl)-1-piperazinyl]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[4-(6-chloropyridin-1-ium-2-yl)piperazin-1-yl]pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[4-(6-chloropyridin-1-ium-2-yl)piperazino]pyridin-1-ium-3,5-dicarbonitrile Formula: C16H16ClN7+2 MolecularWeight: 341.79814

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C(=CC=C2)Cl)C3=[NH+]C(=C(C=C3C#N)C#N)N

Isomeric SMILES

C1CN(CCN1C2=[NH+]C(=CC=C2)Cl)C3=[NH+]C(=C(C=C3C#N)C#N)N

InChI

InChI=1S/C16H14ClN7/c17-13-2-1-3-14(21-13)23-4-6-24(7-5-23)16-12(10-19)8-11(9-18)15(20)22-16/h1-3,8H,4-7H2,(H2,20,22)/p+2