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

Systemtic Name: 2-[(2S)-1-(2-methylpropyl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-isobutyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(2-methylpropyl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(2-methylpropyl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-isobutyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C20H31N4O+ MolecularWeight: 343.48634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O/c1-16(2)13-24-10-9-23(15-19(24)8-11-25)14-18-12-21-22-20(18)17-6-4-3-5-7-17/h3-7,12,16,19,25H,8-11,13-15H2,1-2H3,(H,21,22)/p+1/t19-/m0/s1