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

Systemtic Name: methyl 1-[[(3R)-1-[(4-fluorophenyl)methyl]-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[[(3R)-1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-3-piperidyl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[(3R)-1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-3-piperidinyl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[[(3R)-1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[(3R)-1-(4-fluorobenzyl)-3-hydroxy-2-keto-3-piperidyl]methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C20H28FN2O4+ MolecularWeight: 379.445723

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC2(CCCN(C2=O)CC3=CC=C(C=C3)F)O

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)C[C@@]2(CCCN(C2=O)CC3=CC=C(C=C3)F)O

InChI

InChI=1S/C20H27FN2O4/c1-27-18(24)16-7-11-22(12-8-16)14-20(26)9-2-10-23(19(20)25)13-15-3-5-17(21)6-4-15/h3-6,16,26H,2,7-14H2,1H3/p+1/t20-/m1/s1