ethyl (3S)-1-[2-[(2-cyano-4,5-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[(2-cyano-4,5-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(2-cyano-4,5-dimethoxy-anilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(2-cyano-4,5-dimethoxyanilino)-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(2-cyano-4,5-dimethoxyanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(2-cyano-4,5-dimethoxy-anilino)-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H26N3O5+ MolecularWeight: 376.42684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NC2=CC(=C(C=C2C#N)OC)OC

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NC2=CC(=C(C=C2C#N)OC)OC

InChI

InChI=1S/C19H25N3O5/c1-4-27-19(24)13-6-5-7-22(11-13)12-18(23)21-15-9-17(26-3)16(25-2)8-14(15)10-20/h8-9,13H,4-7,11-12H2,1-3H3,(H,21,23)/p+1/t13-/m0/s1