2-azanyl-6-ethoxy-4-(3-phenoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-ethoxy-4-(3-phenoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-ethoxy-4-(3-phenoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-ethoxy-4-(3-phenoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-ethoxy-4-(3-phenoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-ethoxy-4-(3-phenoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile Formula: C21H17N4O2+ MolecularWeight: 357.38528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C#N

Isomeric SMILES

CCOC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C#N

InChI

InChI=1S/C21H16N4O2/c1-2-26-21-18(13-23)19(17(12-22)20(24)25-21)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-11H,2H2,1H3,(H2,24,25)/p+1