ethyl 1-[[(3R)-1-[(2-fluorophenyl)methyl]-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[(3R)-1-[(2-fluorophenyl)methyl]-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[(3R)-1-[(2-fluorophenyl)methyl]-3-hydroxy-2-oxo-3-piperidyl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[(3R)-1-[(2-fluorophenyl)methyl]-3-hydroxy-2-oxo-3-piperidinyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[(3R)-1-[(2-fluorophenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[(3R)-1-(2-fluorobenzyl)-3-hydroxy-2-keto-3-piperidyl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H30FN2O4+ MolecularWeight: 393.472303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2(CCCN(C2=O)CC3=CC=CC=C3F)O

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)C[C@@]2(CCCN(C2=O)CC3=CC=CC=C3F)O

InChI

InChI=1S/C21H29FN2O4/c1-2-28-19(25)16-8-12-23(13-9-16)15-21(27)10-5-11-24(20(21)26)14-17-6-3-4-7-18(17)22/h3-4,6-7,16,27H,2,5,8-15H2,1H3/p+1/t21-/m1/s1