2-[(2S)-1-[(4-fluorophenyl)methyl]-4-(1H-pyrazol-5-ylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(4-fluorophenyl)methyl]-4-(1H-pyrazol-5-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(4-fluorophenyl)methyl]-4-(1H-pyrazol-5-ylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-fluorophenyl)methyl]-4-(1H-pyrazol-5-ylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-fluorophenyl)methyl]-4-(1H-pyrazol-5-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-fluorobenzyl)-4-(1H-pyrazol-5-ylmethyl)piperazin-4-ium-2-yl]ethanol Formula: C17H24FN4O+ MolecularWeight: 319.397063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CC2=CC=NN2)CCO)CC3=CC=C(C=C3)F

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=CC=NN2)CCO)CC3=CC=C(C=C3)F

InChI

InChI=1S/C17H23FN4O/c18-15-3-1-14(2-4-15)11-22-9-8-21(13-17(22)6-10-23)12-16-5-7-19-20-16/h1-5,7,17,23H,6,8-13H2,(H,19,20)/p+1/t17-/m0/s1