methyl 5-cyano-6-(diethylamino)-2-methyl-pyridin-1-ium-3-carboxylate

Systemtic Name: methyl 5-cyano-6-(diethylamino)-2-methyl-pyridin-1-ium-3-carboxylate Openeye Name: methyl 5-cyano-6-(diethylamino)-2-methyl-pyridin-1-ium-3-carboxylate CAS Name: 5-cyano-6-(diethylamino)-2-methyl-3-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 5-cyano-6-(diethylamino)-2-methylpyridin-1-ium-3-carboxylate Traditional Name: 5-cyano-6-(diethylamino)-2-methyl-pyridin-1-ium-3-carboxylic acid methyl ester Formula: C13H18N3O2+ MolecularWeight: 248.30092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=[NH+]C(=C(C=C1C#N)C(=O)OC)C

Isomeric SMILES

CCN(CC)C1=[NH+]C(=C(C=C1C#N)C(=O)OC)C

InChI

InChI=1S/C13H17N3O2/c1-5-16(6-2)12-10(8-14)7-11(9(3)15-12)13(17)18-4/h7H,5-6H2,1-4H3/p+1