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

Systemtic Name: methyl 1-[2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-(2,4-dimethoxyanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(2,4-dimethoxyanilino)-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C17H25N2O5+ MolecularWeight: 337.3908

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)OC)OC

InChI

InChI=1S/C17H24N2O5/c1-22-13-4-5-14(15(10-13)23-2)18-16(20)11-19-8-6-12(7-9-19)17(21)24-3/h4-5,10,12H,6-9,11H2,1-3H3,(H,18,20)/p+1