ethyl (3S)-1-[2-(4-fluoranylphenoxy)ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-(4-fluoranylphenoxy)ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(4-fluorophenoxy)ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(4-fluorophenoxy)ethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(4-fluorophenoxy)ethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(4-fluorophenoxy)ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C16H23FNO3+ MolecularWeight: 296.357123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CCOC2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CCOC2=CC=C(C=C2)F

InChI

InChI=1S/C16H22FNO3/c1-2-20-16(19)13-4-3-9-18(12-13)10-11-21-15-7-5-14(17)6-8-15/h5-8,13H,2-4,9-12H2,1H3/p+1/t13-/m0/s1