ethyl 1-[1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-[(3-ethoxy-4-hydroxy-phenyl)methyl]piperidin-1-ium-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-1-ium-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-(3-ethoxy-4-hydroxy-benzyl)piperidin-1-ium-4-carbonyl]isonipecotic acid ethyl ester Formula: C23H35N2O5+ MolecularWeight: 419.5344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)N3CCC(CC3)C(=O)OCC)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)N3CCC(CC3)C(=O)OCC)O

InChI

InChI=1S/C23H34N2O5/c1-3-29-21-15-17(5-6-20(21)26)16-24-11-7-18(8-12-24)22(27)25-13-9-19(10-14-25)23(28)30-4-2/h5-6,15,18-19,26H,3-4,7-14,16H2,1-2H3/p+1