4-[(2S)-3-(2-fluoranylphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-2-one

Systemtic Name: 4-[(2S)-3-(2-fluoranylphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-2-one Openeye Name: 4-[(2S)-3-(2-fluorophenoxy)-2-hydroxy-propyl]piperazin-4-ium-2-one CAS Name: 4-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]-2-piperazin-4-iumone IUPAC Name: 4-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]piperazin-4-ium-2-one Traditional Name: 4-[(2S)-3-(2-fluorophenoxy)-2-hydroxy-propyl]piperazin-4-ium-2-one Formula: C13H18FN2O3+ MolecularWeight: 269.292023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC(COC2=CC=CC=C2F)O

Isomeric SMILES

C1C[NH+](CC(=O)N1)C[C@@H](COC2=CC=CC=C2F)O

InChI

InChI=1S/C13H17FN2O3/c14-11-3-1-2-4-12(11)19-9-10(17)7-16-6-5-15-13(18)8-16/h1-4,10,17H,5-9H2,(H,15,18)/p+1/t10-/m0/s1