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

Systemtic Name: 2-[(2S)-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-cyclopentyl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-cyclopentyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-cyclopentyl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-cyclopentylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-cyclopentyl-piperazin-1-ium-2-yl]ethanol Formula: C21H30ClN4O+ MolecularWeight: 389.9421

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCN(CC2CCO)CC3=C(NN=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC(C1)[NH+]2CCN(C[C@@H]2CCO)CC3=C(NN=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H29ClN4O/c22-18-7-5-16(6-8-18)21-17(13-23-24-21)14-25-10-11-26(19-3-1-2-4-19)20(15-25)9-12-27/h5-8,13,19-20,27H,1-4,9-12,14-15H2,(H,23,24)/p+1/t20-/m0/s1