ethyl (3S)-1-[3-(2-fluoranylphenoxy)propyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[3-(2-fluoranylphenoxy)propyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[3-(2-fluorophenoxy)propyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[3-(2-fluorophenoxy)propyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[3-(2-fluorophenoxy)propyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[3-(2-fluorophenoxy)propyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C17H25FNO3+ MolecularWeight: 310.383703

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CCCOC2=CC=CC=C2F

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CCCOC2=CC=CC=C2F

InChI

InChI=1S/C17H24FNO3/c1-2-21-17(20)14-7-5-10-19(13-14)11-6-12-22-16-9-4-3-8-15(16)18/h3-4,8-9,14H,2,5-7,10-13H2,1H3/p+1/t14-/m0/s1