ethyl 1-[(2R)-3-(2-fluoranylphenoxy)-2-oxidanyl-propyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2R)-3-(2-fluoranylphenoxy)-2-oxidanyl-propyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(2R)-3-(2-fluorophenoxy)-2-hydroxy-propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-3-(2-fluorophenoxy)-2-hydroxypropyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-3-(2-fluorophenoxy)-2-hydroxypropyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2R)-3-(2-fluorophenoxy)-2-hydroxy-propyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C17H25FNO4+ MolecularWeight: 326.383103

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(COC2=CC=CC=C2F)O

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)C[C@H](COC2=CC=CC=C2F)O

InChI

InChI=1S/C17H24FNO4/c1-2-22-17(21)13-7-9-19(10-8-13)11-14(20)12-23-16-6-4-3-5-15(16)18/h3-6,13-14,20H,2,7-12H2,1H3/p+1/t14-/m1/s1