ethyl 1-[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-(2,5-dimethoxyanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(2,5-dimethoxyanilino)-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H27N2O5+ MolecularWeight: 351.41738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)OC)OC

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)OC)OC

InChI

InChI=1S/C18H26N2O5/c1-4-25-18(22)13-7-9-20(10-8-13)12-17(21)19-15-11-14(23-2)5-6-16(15)24-3/h5-6,11,13H,4,7-10,12H2,1-3H3,(H,19,21)/p+1