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

Systemtic Name: ethyl (3R)-3-[(2-fluorophenyl)methyl]-1-(1-oxidanidylpyridin-1-ium-4-yl)carbonyl-piperidine-3-carboxylate Openeye Name: ethyl (3R)-3-[(2-fluorophenyl)methyl]-1-(1-oxidopyridin-1-ium-4-carbonyl)piperidine-3-carboxylate CAS Name: (3R)-3-[(2-fluorophenyl)methyl]-1-[(1-oxido-4-pyridin-1-iumyl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-3-[(2-fluorophenyl)methyl]-1-(1-oxidopyridin-1-ium-4-carbonyl)piperidine-3-carboxylate Traditional Name: (3R)-3-(2-fluorobenzyl)-1-(1-oxidopyridin-1-ium-4-carbonyl)nipecotic acid ethyl ester Formula: C21H23FN2O4 MolecularWeight: 386.416723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC=[N+](C=C2)[O-])CC3=CC=CC=C3F

Isomeric SMILES

CCOC(=O)[C@]1(CCCN(C1)C(=O)C2=CC=[N+](C=C2)[O-])CC3=CC=CC=C3F

InChI

InChI=1S/C21H23FN2O4/c1-2-28-20(26)21(14-17-6-3-4-7-18(17)22)10-5-11-23(15-21)19(25)16-8-12-24(27)13-9-16/h3-4,6-9,12-13H,2,5,10-11,14-15H2,1H3/t21-/m1/s1