ethyl 4-[(2-chlorophenyl)methyl]-1-(1-oxidanidylpyridin-1-ium-3-yl)carbonyl-piperidine-4-carboxylate

Systemtic Name: ethyl 4-[(2-chlorophenyl)methyl]-1-(1-oxidanidylpyridin-1-ium-3-yl)carbonyl-piperidine-4-carboxylate Openeye Name: ethyl 4-[(2-chlorophenyl)methyl]-1-(1-oxidopyridin-1-ium-3-carbonyl)piperidine-4-carboxylate CAS Name: 4-[(2-chlorophenyl)methyl]-1-[(1-oxido-3-pyridin-1-iumyl)-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-chlorophenyl)methyl]-1-(1-oxidopyridin-1-ium-3-carbonyl)piperidine-4-carboxylate Traditional Name: 4-(2-chlorobenzyl)-1-(1-oxidopyridin-1-ium-3-carbonyl)isonipecotic acid ethyl ester Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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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=CC=C3Cl

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C2=C[N+](=CC=C2)[O-])CC3=CC=CC=C3Cl

InChI

InChI=1S/C21H23ClN2O4/c1-2-28-20(26)21(14-16-6-3-4-8-18(16)22)9-12-23(13-10-21)19(25)17-7-5-11-24(27)15-17/h3-8,11,15H,2,9-10,12-14H2,1H3