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

Systemtic Name: 2-azanyl-4-(cyanomethyl)-6-(4-ethylpiperazin-4-ium-1-yl)pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-4-(cyanomethyl)-6-(4-ethylpiperazin-4-ium-1-yl)pyridine-3,5-dicarbonitrile CAS Name: 2-amino-4-(cyanomethyl)-6-(4-ethyl-1-piperazin-4-iumyl)pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(cyanomethyl)-6-(4-ethylpiperazin-4-ium-1-yl)pyridine-3,5-dicarbonitrile Traditional Name: 2-amino-4-(cyanomethyl)-6-(4-ethylpiperazin-4-ium-1-yl)dinicotinonitrile Formula: C15H18N7+ MolecularWeight: 296.35032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N7/c1-2-21-5-7-22(8-6-21)15-13(10-18)11(3-4-16)12(9-17)14(19)20-15/h2-3,5-8H2,1H3,(H2,19,20)/p+1