ethyl 6-(butylamino)-5-cyano-2-phenyl-pyridin-1-ium-3-carboxylate

Systemtic Name: ethyl 6-(butylamino)-5-cyano-2-phenyl-pyridin-1-ium-3-carboxylate Openeye Name: ethyl 6-(butylamino)-5-cyano-2-phenyl-pyridin-1-ium-3-carboxylate CAS Name: 6-(butylamino)-5-cyano-2-phenyl-3-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6-(butylamino)-5-cyano-2-phenylpyridin-1-ium-3-carboxylate Traditional Name: 6-(butylamino)-5-cyano-2-phenyl-pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C19H22N3O2+ MolecularWeight: 324.39688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=[NH+]C(=C(C=C1C#N)C(=O)OCC)C2=CC=CC=C2

Isomeric SMILES

CCCCNC1=[NH+]C(=C(C=C1C#N)C(=O)OCC)C2=CC=CC=C2

InChI

InChI=1S/C19H21N3O2/c1-3-5-11-21-18-15(13-20)12-16(19(23)24-4-2)17(22-18)14-9-7-6-8-10-14/h6-10,12H,3-5,11H2,1-2H3,(H,21,22)/p+1