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

Systemtic Name: 2-[(2S)-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol Formula: C17H24ClN4O+ MolecularWeight: 335.85166

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1CCO)CC2=C(NN=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClN4O/c1-21-7-8-22(12-16(21)6-9-23)11-14-10-19-20-17(14)13-2-4-15(18)5-3-13/h2-5,10,16,23H,6-9,11-12H2,1H3,(H,19,20)/p+1/t16-/m0/s1