2-[(2S)-1-(3-methylbutyl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(3-methylbutyl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-isopentyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(3-methylbutyl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(3-methylbutyl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-isoamyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C21H33N4O+ MolecularWeight: 357.51292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O/c1-17(2)8-10-25-12-11-24(16-20(25)9-13-26)15-19-14-22-23-21(19)18-6-4-3-5-7-18/h3-7,14,17,20,26H,8-13,15-16H2,1-2H3,(H,22,23)/p+1/t20-/m0/s1