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

Systemtic Name: 2-azanyl-4-(cyanomethyl)-6-(pyridin-3-ylmethylamino)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(cyanomethyl)-6-(3-pyridylmethylamino)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(cyanomethyl)-6-(3-pyridinylmethylamino)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(cyanomethyl)-6-(pyridin-3-ylmethylamino)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-(cyanomethyl)-6-(3-pyridylmethylamino)pyridin-1-ium-3,5-dicarbonitrile Formula: C15H12N7+ MolecularWeight: 290.30268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC2=C(C(=C(C(=[NH+]2)N)C#N)CC#N)C#N

Isomeric SMILES

C1=CC(=CN=C1)CNC2=C(C(=C(C(=[NH+]2)N)C#N)CC#N)C#N

InChI

InChI=1S/C15H11N7/c16-4-3-11-12(6-17)14(19)22-15(13(11)7-18)21-9-10-2-1-5-20-8-10/h1-2,5,8H,3,9H2,(H3,19,21,22)/p+1