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

Systemtic Name: 2-[(2S)-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-cyclohexyl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-cyclohexyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-cyclohexyl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-cyclohexylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-cyclohexyl-piperazin-1-ium-2-yl]ethanol Formula: C22H32ClN4O+ MolecularWeight: 403.96868

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2CCO)CC3=C(NN=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(C[C@@H]2CCO)CC3=C(NN=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H31ClN4O/c23-19-8-6-17(7-9-19)22-18(14-24-25-22)15-26-11-12-27(21(16-26)10-13-28)20-4-2-1-3-5-20/h6-9,14,20-21,28H,1-5,10-13,15-16H2,(H,24,25)/p+1/t21-/m0/s1