2-azanyl-4-(cyanomethyl)-6-[2-hydroxyethyl(methyl)amino]pyridin-1-ium-3,5-dicarbonitrile

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCO)C1=C(C(=C(C(=[NH+]1)N)C#N)CC#N)C#N

Isomeric SMILES

CN(CCO)C1=C(C(=C(C(=[NH+]1)N)C#N)CC#N)C#N

InChI

InChI=1S/C12H12N6O/c1-18(4-5-19)12-10(7-15)8(2-3-13)9(6-14)11(16)17-12/h19H,2,4-5H2,1H3,(H2,16,17)/p+1