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

Systemtic Name: 2-[(2S)-1-cyclopentyl-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-cyclopentyl-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-cyclopentyl-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-cyclopentyl-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-cyclopentyl-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-ium-2-yl]ethanol Formula: C22H33N4O2+ MolecularWeight: 385.52302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C=NN2)CN3CC[NH+](C(C3)CCO)C4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C=NN2)CN3CC[NH+]([C@H](C3)CCO)C4CCCC4

InChI

InChI=1S/C22H32N4O2/c1-28-21-8-6-17(7-9-21)22-18(14-23-24-22)15-25-11-12-26(19-4-2-3-5-19)20(16-25)10-13-27/h6-9,14,19-20,27H,2-5,10-13,15-16H2,1H3,(H,23,24)/p+1/t20-/m0/s1