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

Systemtic Name: 2-azanyl-4-(cyanomethyl)-6-(4-methanoylpiperazin-1-yl)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(cyanomethyl)-6-(4-formylpiperazin-1-yl)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(cyanomethyl)-6-(4-formyl-1-piperazinyl)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(cyanomethyl)-6-(4-formylpiperazin-1-yl)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-(cyanomethyl)-6-(4-formylpiperazino)pyridin-1-ium-3,5-dicarbonitrile Formula: C14H14N7O+ MolecularWeight: 296.30726

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=O)C2=[NH+]C(=C(C(=C2C#N)CC#N)C#N)N

Isomeric SMILES

C1CN(CCN1C=O)C2=[NH+]C(=C(C(=C2C#N)CC#N)C#N)N

InChI

InChI=1S/C14H13N7O/c15-2-1-10-11(7-16)13(18)19-14(12(10)8-17)21-5-3-20(9-22)4-6-21/h9H,1,3-6H2,(H2,18,19)/p+1