methyl 1-[4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxybenzoyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[4-[[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]oxy]phenyl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxybenzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxybenzoyl]isonipecotic acid methyl ester Formula: C25H32N3O4+ MolecularWeight: 438.53928

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC=CC=N4

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC=CC=N4

InChI

InChI=1S/C25H31N3O4/c1-31-25(30)20-9-16-28(17-10-20)24(29)19-5-7-22(8-6-19)32-23-11-14-27(15-12-23)18-21-4-2-3-13-26-21/h2-8,13,20,23H,9-12,14-18H2,1H3/p+1