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

Systemtic Name: 2-azanyl-6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-(4-methyl-1-piperazin-4-iumyl)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3,5-dicarbonitrile Formula: C12H16N6+2 MolecularWeight: 244.29564

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=[NH+]C(=C(C=C2C#N)C#N)N

Isomeric SMILES

C[NH+]1CCN(CC1)C2=[NH+]C(=C(C=C2C#N)C#N)N

InChI

InChI=1S/C12H14N6/c1-17-2-4-18(5-3-17)12-10(8-14)6-9(7-13)11(15)16-12/h6H,2-5H2,1H3,(H2,15,16)/p+2