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

Systemtic Name: 2-azanyl-4-(cyanomethyl)-6-(3-oxidanylpropylamino)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(cyanomethyl)-6-(3-hydroxypropylamino)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(cyanomethyl)-6-(3-hydroxypropylamino)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(cyanomethyl)-6-(3-hydroxypropylamino)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-(cyanomethyl)-6-(3-hydroxypropylamino)pyridin-1-ium-3,5-dicarbonitrile Formula: C12H13N6O+ MolecularWeight: 257.27122

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Descriptors Computed from Structure

Canonical SMILES:

C(CNC1=C(C(=C(C(=[NH+]1)N)C#N)CC#N)C#N)CO

Isomeric SMILES

C(CNC1=C(C(=C(C(=[NH+]1)N)C#N)CC#N)C#N)CO

InChI

InChI=1S/C12H12N6O/c13-3-2-8-9(6-14)11(16)18-12(10(8)7-15)17-4-1-5-19/h19H,1-2,4-5H2,(H3,16,17,18)/p+1