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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium Traditional Name: 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-piperonyl-piperazin-1-ium Formula: C24H29N4O2+ MolecularWeight: 405.51266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O2/c1-17-3-5-20(11-18(17)2)24-21(13-25-26-24)15-28-9-7-27(8-10-28)14-19-4-6-22-23(12-19)30-16-29-22/h3-6,11-13H,7-10,14-16H2,1-2H3,(H,25,26)/p+1