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

Systemtic Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[[4-(1-pyrazolyl)phenyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-(4-pyrazol-1-ylbenzyl)piperazin-1-ium-2-yl]ethanol Formula: C21H31N4O+ MolecularWeight: 355.49704

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[NH+]1CCN(CC1CCO)CC2=CC=C(C=C2)N3C=CC=N3)C

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O/c1-18(2)8-12-24-14-13-23(17-21(24)9-15-26)16-19-4-6-20(7-5-19)25-11-3-10-22-25/h3-8,10-11,21,26H,9,12-17H2,1-2H3/p+1/t21-/m0/s1