ethyl 4-[(4-methoxyphenyl)methyl]-1-(1-oxidanidylpyridin-1-ium-3-yl)carbonyl-piperidine-4-carboxylate

Systemtic Name: ethyl 4-[(4-methoxyphenyl)methyl]-1-(1-oxidanidylpyridin-1-ium-3-yl)carbonyl-piperidine-4-carboxylate Openeye Name: ethyl 4-[(4-methoxyphenyl)methyl]-1-(1-oxidopyridin-1-ium-3-carbonyl)piperidine-4-carboxylate CAS Name: 4-[(4-methoxyphenyl)methyl]-1-[(1-oxido-3-pyridin-1-iumyl)-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-methoxyphenyl)methyl]-1-(1-oxidopyridin-1-ium-3-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(1-oxidopyridin-1-ium-3-carbonyl)-4-p-anisyl-isonipecotic acid ethyl ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C2=C[N+](=CC=C2)[O-])CC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C2=C[N+](=CC=C2)[O-])CC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H26N2O5/c1-3-29-21(26)22(15-17-6-8-19(28-2)9-7-17)10-13-23(14-11-22)20(25)18-5-4-12-24(27)16-18/h4-9,12,16H,3,10-11,13-15H2,1-2H3