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

Systemtic Name: 2-azanyl-4-(cyanomethyl)-6-pyrrolidin-1-yl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(cyanomethyl)-6-pyrrolidin-1-yl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(cyanomethyl)-6-(1-pyrrolidinyl)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(cyanomethyl)-6-pyrrolidin-1-ylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-(cyanomethyl)-6-pyrrolidino-pyridin-1-ium-3,5-dicarbonitrile Formula: C13H13N6+ MolecularWeight: 253.28252

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C(=C(C(=C2C#N)CC#N)C#N)N

Isomeric SMILES

C1CCN(C1)C2=[NH+]C(=C(C(=C2C#N)CC#N)C#N)N

InChI

InChI=1S/C13H12N6/c14-4-3-9-10(7-15)12(17)18-13(11(9)8-16)19-5-1-2-6-19/h1-3,5-6H2,(H2,17,18)/p+1