ethyl (3S)-1-[3-(4-fluoranylphenoxy)propyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[3-(4-fluoranylphenoxy)propyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[3-(4-fluorophenoxy)propyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[3-(4-fluorophenoxy)propyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[3-(4-fluorophenoxy)propyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[3-(4-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=C(C=C2)F

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CCCOC2=CC=C(C=C2)F

InChI

InChI=1S/C17H24FNO3/c1-2-21-17(20)14-5-3-10-19(13-14)11-4-12-22-16-8-6-15(18)7-9-16/h6-9,14H,2-5,10-13H2,1H3/p+1/t14-/m0/s1