2-[(2S)-1-[(4-methylphenyl)methyl]-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(4-methylphenyl)methyl]-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(1-isopropylpyrazol-4-yl)methyl]-1-(p-tolylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-methylphenyl)methyl]-4-[(1-propan-2-yl-4-pyrazolyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-methylphenyl)methyl]-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(1-isopropylpyrazol-4-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=CN(N=C3)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CN(N=C3)C(C)C

InChI

InChI=1S/C21H32N4O/c1-17(2)25-15-20(12-22-25)13-23-9-10-24(21(16-23)8-11-26)14-19-6-4-18(3)5-7-19/h4-7,12,15,17,21,26H,8-11,13-14,16H2,1-3H3/p+1/t21-/m0/s1