(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(4-fluoranylphenoxy)butan-1-one

Systemtic Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(4-fluoranylphenoxy)butan-1-one Openeye Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(4-fluorophenoxy)butan-1-one CAS Name: (2S)-1-(4-ethyl-1-piperazin-4-iumyl)-2-(4-fluorophenoxy)-1-butanone IUPAC Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(4-fluorophenoxy)butan-1-one Traditional Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(4-fluorophenoxy)butan-1-one Formula: C16H24FN2O2+ MolecularWeight: 295.372363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CC[NH+](CC1)CC)OC2=CC=C(C=C2)F

Isomeric SMILES

CC[C@@H](C(=O)N1CC[NH+](CC1)CC)OC2=CC=C(C=C2)F

InChI

InChI=1S/C16H23FN2O2/c1-3-15(21-14-7-5-13(17)6-8-14)16(20)19-11-9-18(4-2)10-12-19/h5-8,15H,3-4,9-12H2,1-2H3/p+1/t15-/m0/s1