1-(1,3-benzodioxol-5-ylmethyl)-4-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[5-(p-tolyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium Traditional Name: 1-piperonyl-4-[[5-(p-tolyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C=NN2)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C=NN2)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H26N4O2/c1-17-2-5-19(6-3-17)23-20(13-24-25-23)15-27-10-8-26(9-11-27)14-18-4-7-21-22(12-18)29-16-28-21/h2-7,12-13H,8-11,14-16H2,1H3,(H,24,25)/p+1