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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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