ethyl (3R)-1-[3-[(2,5-dimethoxyphenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[3-[(2,5-dimethoxyphenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[3-(2,5-dimethoxyanilino)-3-oxo-propyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[3-(2,5-dimethoxyanilino)-3-oxopropyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[3-(2,5-dimethoxyanilino)-3-oxopropyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[3-(2,5-dimethoxyanilino)-3-keto-propyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H29N2O5+ MolecularWeight: 365.44396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CCC(=O)NC2=C(C=CC(=C2)OC)OC

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[NH+](C1)CCC(=O)NC2=C(C=CC(=C2)OC)OC

InChI

InChI=1S/C19H28N2O5/c1-4-26-19(23)14-6-5-10-21(13-14)11-9-18(22)20-16-12-15(24-2)7-8-17(16)25-3/h7-8,12,14H,4-6,9-11,13H2,1-3H3,(H,20,22)/p+1/t14-/m1/s1