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

Systemtic Name: 2-[(2S)-1-[(4-methylphenyl)methyl]-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(3-isopropyl-1H-pyrazol-5-yl)methyl]-1-(p-tolylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-methylphenyl)methyl]-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-methylphenyl)methyl]-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(3-isopropyl-1H-pyrazol-5-yl)methyl]-1-(4-methylbenzyl)piperazin-4-ium-2-yl]ethanol Formula: C21H33N4O+ MolecularWeight: 357.51292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CC[NH+](CC2CCO)CC3=CC(=NN3)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CC(=NN3)C(C)C

InChI

InChI=1S/C21H32N4O/c1-16(2)21-12-19(22-23-21)14-24-9-10-25(20(15-24)8-11-26)13-18-6-4-17(3)5-7-18/h4-7,12,16,20,26H,8-11,13-15H2,1-3H3,(H,22,23)/p+1/t20-/m0/s1