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

Systemtic Name: 2-azanyl-4-(cyanomethyl)-6-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-(4-acetylpiperazin-1-yl)-6-amino-4-(cyanomethyl)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-(4-acetyl-1-piperazinyl)-6-amino-4-(cyanomethyl)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-(4-acetylpiperazin-1-yl)-6-amino-4-(cyanomethyl)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-(4-acetylpiperazino)-6-amino-4-(cyanomethyl)pyridin-1-ium-3,5-dicarbonitrile Formula: C15H16N7O+ MolecularWeight: 310.33384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=[NH+]C(=C(C(=C2C#N)CC#N)C#N)N

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=[NH+]C(=C(C(=C2C#N)CC#N)C#N)N

InChI

InChI=1S/C15H15N7O/c1-10(23)21-4-6-22(7-5-21)15-13(9-18)11(2-3-16)12(8-17)14(19)20-15/h2,4-7H2,1H3,(H2,19,20)/p+1