1-(diphenylmethyl)-4-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium

Systemtic Name: 1-(diphenylmethyl)-4-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium Openeye Name: 1-benzhydryl-4-[[5-(p-tolyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium CAS Name: 1-(diphenylmethyl)-4-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium IUPAC Name: 1-benzhydryl-4-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium Traditional Name: 1-benzhydryl-4-[[5-(p-tolyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium Formula: C28H31N4+ MolecularWeight: 423.57254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C=NN2)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C=NN2)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H30N4/c1-22-12-14-23(15-13-22)27-26(20-29-30-27)21-31-16-18-32(19-17-31)28(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-15,20,28H,16-19,21H2,1H3,(H,29,30)/p+1