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

Systemtic Name: 2-[(2S)-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-phenethyl-piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-phenethyl-piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-phenethyl-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-phenethylpiperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-phenethyl-piperazin-4-ium-2-yl]ethanol Formula: C24H30ClN4O+ MolecularWeight: 425.9742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29ClN4O/c25-22-8-6-20(7-9-22)24-21(16-26-27-24)17-28-13-14-29(23(18-28)11-15-30)12-10-19-4-2-1-3-5-19/h1-9,16,23,30H,10-15,17-18H2,(H,26,27)/p+1/t23-/m0/s1