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

Systemtic Name: 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(diphenylmethyl)piperazin-1-ium Openeye Name: 1-benzhydryl-4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium CAS Name: 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(diphenylmethyl)piperazin-1-ium IUPAC Name: 1-benzhydryl-4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium Traditional Name: 1-benzhydryl-4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium Formula: C29H33N4+ MolecularWeight: 437.59912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32N4/c1-22-13-14-26(19-23(22)2)28-27(20-30-31-28)21-32-15-17-33(18-16-32)29(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-14,19-20,29H,15-18,21H2,1-2H3,(H,30,31)/p+1