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

Systemtic Name: 2-[(2S)-1-cyclohexyl-4-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-cyclohexyl-4-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-cyclohexyl-4-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-cyclohexyl-4-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-cyclohexyl-4-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C22H39N4O+ MolecularWeight: 375.57126

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C=NN2)CN3CC[NH+](C(C3)CCO)C4CCCCC4

Isomeric SMILES

C1CCC(CC1)C2=C(C=NN2)CN3CC[NH+]([C@H](C3)CCO)C4CCCCC4

InChI

InChI=1S/C22H38N4O/c27-14-11-21-17-25(12-13-26(21)20-9-5-2-6-10-20)16-19-15-23-24-22(19)18-7-3-1-4-8-18/h15,18,20-21,27H,1-14,16-17H2,(H,23,24)/p+1/t21-/m0/s1