ethyl 1-[2-[2-cyanoethyl-(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-[2-cyanoethyl-(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-[N-(2-cyanoethyl)-4-ethoxy-anilino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[N-(2-cyanoethyl)-4-ethoxy-anilino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H30N3O4+ MolecularWeight: 388.4806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)C[NH+]2CCC(CC2)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)C[NH+]2CCC(CC2)C(=O)OCC

InChI

InChI=1S/C21H29N3O4/c1-3-27-19-8-6-18(7-9-19)24(13-5-12-22)20(25)16-23-14-10-17(11-15-23)21(26)28-4-2/h6-9,17H,3-5,10-11,13-16H2,1-2H3/p+1