2-[(2S)-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-phenethyl-piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-phenethyl-piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-phenethyl-piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-phenethyl-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-phenethylpiperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-phenethyl-piperazin-4-ium-2-yl]ethanol Formula: C24H30FN4O+ MolecularWeight: 409.519603

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CC2=C(NN=C2)C3=CC(=CC=C3)F)CCO)CCC4=CC=CC=C4

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=C(NN=C2)C3=CC(=CC=C3)F)CCO)CCC4=CC=CC=C4

InChI

InChI=1S/C24H29FN4O/c25-22-8-4-7-20(15-22)24-21(16-26-27-24)17-28-12-13-29(23(18-28)10-14-30)11-9-19-5-2-1-3-6-19/h1-8,15-16,23,30H,9-14,17-18H2,(H,26,27)/p+1/t23-/m0/s1