1-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-(3,4-dimethoxyanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(3,4-dimethoxyanilino)-2-keto-ethyl]piperidin-1-ium-4-carboxylate Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O5/c1-22-13-4-3-12(9-14(13)23-2)17-15(19)10-18-7-5-11(6-8-18)16(20)21/h3-4,9,11H,5-8,10H2,1-2H3,(H,17,19)(H,20,21)