2-[(2S)-1-[(4-fluorophenyl)methyl]-4-(3-phenylprop-2-ynyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(4-fluorophenyl)methyl]-4-(3-phenylprop-2-ynyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(4-fluorophenyl)methyl]-4-(3-phenylprop-2-ynyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-fluorophenyl)methyl]-4-(3-phenylprop-2-ynyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-fluorophenyl)methyl]-4-(3-phenylprop-2-ynyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-fluorobenzyl)-4-(3-phenylprop-2-ynyl)piperazin-1-ium-2-yl]ethanol Formula: C22H26FN2O+ MolecularWeight: 353.453043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC([NH+]1CC2=CC=C(C=C2)F)CCO)CC#CC3=CC=CC=C3

Isomeric SMILES

C1CN(C[C@@H]([NH+]1CC2=CC=C(C=C2)F)CCO)CC#CC3=CC=CC=C3

InChI

InChI=1S/C22H25FN2O/c23-21-10-8-20(9-11-21)17-25-15-14-24(18-22(25)12-16-26)13-4-7-19-5-2-1-3-6-19/h1-3,5-6,8-11,22,26H,12-18H2/p+1/t22-/m0/s1