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

Systemtic Name: 2-[(2S)-1-(3-methylbutyl)-4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-isopentyl-4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(3-methylbutyl)-4-[[3-(1-pyrazolyl)phenyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(3-methylbutyl)-4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-isoamyl-4-(3-pyrazol-1-ylbenzyl)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=CC(=CC=C2)N3C=CC=N3

Isomeric SMILES

CC(C)CC[NH+]1CCN(C[C@@H]1CCO)CC2=CC(=CC=C2)N3C=CC=N3

InChI

InChI=1S/C21H32N4O/c1-18(2)7-11-24-13-12-23(17-21(24)8-14-26)16-19-5-3-6-20(15-19)25-10-4-9-22-25/h3-6,9-10,15,18,21,26H,7-8,11-14,16-17H2,1-2H3/p+1/t21-/m0/s1