1-(2,3-dimethylphenyl)-4-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium

Systemtic Name: 1-(2,3-dimethylphenyl)-4-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium Openeye Name: 1-(2,3-dimethylphenyl)-4-[[5-(p-tolyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium CAS Name: 1-(2,3-dimethylphenyl)-4-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium IUPAC Name: 1-(2,3-dimethylphenyl)-4-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium Traditional Name: 1-(2,3-dimethylphenyl)-4-[[5-(p-tolyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium Formula: C23H29N4+ MolecularWeight: 361.50316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C=NN2)C[NH+]3CCN(CC3)C4=CC=CC(=C4C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C=NN2)C[NH+]3CCN(CC3)C4=CC=CC(=C4C)C

InChI

InChI=1S/C23H28N4/c1-17-7-9-20(10-8-17)23-21(15-24-25-23)16-26-11-13-27(14-12-26)22-6-4-5-18(2)19(22)3/h4-10,15H,11-14,16H2,1-3H3,(H,24,25)/p+1