ethyl 2-cyano-2-(2,6-dimethyl-1-pyridin-1-ium-3-yl-pyridin-4-ylidene)ethanoate

Systemtic Name: ethyl 2-cyano-2-(2,6-dimethyl-1-pyridin-1-ium-3-yl-pyridin-4-ylidene)ethanoate Openeye Name: ethyl 2-cyano-2-(2,6-dimethyl-1-pyridin-1-ium-3-yl-4-pyridylidene)acetate CAS Name: 2-cyano-2-[2,6-dimethyl-1-(3-pyridin-1-iumyl)-4-pyridinylidene]acetic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-(2,6-dimethyl-1-pyridin-1-ium-3-ylpyridin-4-ylidene)acetate Traditional Name: 2-cyano-2-(2,6-dimethyl-1-pyridin-1-ium-3-yl-4-pyridylidene)acetic acid ethyl ester Formula: C17H18N3O2+ MolecularWeight: 296.34372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1C=C(N(C(=C1)C)C2=C[NH+]=CC=C2)C)C#N

Isomeric SMILES

CCOC(=O)C(=C1C=C(N(C(=C1)C)C2=C[NH+]=CC=C2)C)C#N

InChI

InChI=1S/C17H17N3O2/c1-4-22-17(21)16(10-18)14-8-12(2)20(13(3)9-14)15-6-5-7-19-11-15/h5-9,11H,4H2,1-3H3/p+1