2-(pyridin-3-ylmethylamino)pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-(pyridin-3-ylmethylamino)pyridin-1-ium-3-carbonitrile Openeye Name: 2-(3-pyridylmethylamino)pyridin-1-ium-3-carbonitrile CAS Name: 2-(3-pyridinylmethylamino)-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-(pyridin-3-ylmethylamino)pyridin-1-ium-3-carbonitrile Traditional Name: 2-(3-pyridylmethylamino)pyridin-1-ium-3-carbonitrile Formula: C12H11N4+ MolecularWeight: 211.24254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C([NH+]=C1)NCC2=CN=CC=C2)C#N

Isomeric SMILES

C1=CC(=C([NH+]=C1)NCC2=CN=CC=C2)C#N

InChI

InChI=1S/C12H10N4/c13-7-11-4-2-6-15-12(11)16-9-10-3-1-5-14-8-10/h1-6,8H,9H2,(H,15,16)/p+1