2-azanyl-4-(2,5-dimethoxyphenyl)-6-pyridin-1-ium-3-yl-pyridine-3-carbonitrile

Systemtic Name: 2-azanyl-4-(2,5-dimethoxyphenyl)-6-pyridin-1-ium-3-yl-pyridine-3-carbonitrile Openeye Name: 2-amino-4-(2,5-dimethoxyphenyl)-6-pyridin-1-ium-3-yl-pyridine-3-carbonitrile CAS Name: 2-amino-4-(2,5-dimethoxyphenyl)-6-(3-pyridin-1-iumyl)-3-pyridinecarbonitrile IUPAC Name: 2-amino-4-(2,5-dimethoxyphenyl)-6-pyridin-1-ium-3-ylpyridine-3-carbonitrile Traditional Name: 2-amino-4-(2,5-dimethoxyphenyl)-6-pyridin-1-ium-3-yl-nicotinonitrile Formula: C19H17N4O2+ MolecularWeight: 333.36388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=CC(=NC(=C2C#N)N)C3=C[NH+]=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=CC(=NC(=C2C#N)N)C3=C[NH+]=CC=C3

InChI

InChI=1S/C19H16N4O2/c1-24-13-5-6-18(25-2)15(8-13)14-9-17(12-4-3-7-22-11-12)23-19(21)16(14)10-20/h3-9,11H,1-2H3,(H2,21,23)/p+1