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

Systemtic Name: 2-azanyl-4-(cyanomethyl)-6-(4-methylpiperazin-4-ium-1-yl)pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-4-(cyanomethyl)-6-(4-methylpiperazin-4-ium-1-yl)pyridine-3,5-dicarbonitrile CAS Name: 2-amino-4-(cyanomethyl)-6-(4-methyl-1-piperazin-4-iumyl)pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(cyanomethyl)-6-(4-methylpiperazin-4-ium-1-yl)pyridine-3,5-dicarbonitrile Traditional Name: 2-amino-4-(cyanomethyl)-6-(4-methylpiperazin-4-ium-1-yl)dinicotinonitrile Formula: C14H16N7+ MolecularWeight: 282.32374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N7/c1-20-4-6-21(7-5-20)14-12(9-17)10(2-3-15)11(8-16)13(18)19-14/h2,4-7H2,1H3,(H2,18,19)/p+1