2-(4-cyano-2-ethoxy-phenoxy)-N-[4-(dimethylamino)pyridin-1-ium-3-yl]ethanamide

Systemtic Name: 2-(4-cyano-2-ethoxy-phenoxy)-N-[4-(dimethylamino)pyridin-1-ium-3-yl]ethanamide Openeye Name: 2-(4-cyano-2-ethoxy-phenoxy)-N-[4-(dimethylamino)pyridin-1-ium-3-yl]acetamide CAS Name: 2-(4-cyano-2-ethoxyphenoxy)-N-[4-(dimethylamino)-3-pyridin-1-iumyl]acetamide IUPAC Name: 2-(4-cyano-2-ethoxyphenoxy)-N-[4-(dimethylamino)pyridin-1-ium-3-yl]acetamide Traditional Name: 2-(4-cyano-2-ethoxy-phenoxy)-N-[4-(dimethylamino)pyridin-1-ium-3-yl]acetamide Formula: C18H21N4O3+ MolecularWeight: 341.38434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C#N)OCC(=O)NC2=C(C=C[NH+]=C2)N(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C#N)OCC(=O)NC2=C(C=C[NH+]=C2)N(C)C

InChI

InChI=1S/C18H20N4O3/c1-4-24-17-9-13(10-19)5-6-16(17)25-12-18(23)21-14-11-20-8-7-15(14)22(2)3/h5-9,11H,4,12H2,1-3H3,(H,21,23)/p+1