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

Systemtic Name: 1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-phenyl-piperazin-1-ium Openeye Name: 1-phenyl-4-[[5-(p-tolyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium CAS Name: 1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-phenylpiperazin-1-ium Traditional Name: 1-phenyl-4-[[5-(p-tolyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium Formula: C21H25N4+ MolecularWeight: 333.45

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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=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4/c1-17-7-9-18(10-8-17)21-19(15-22-23-21)16-24-11-13-25(14-12-24)20-5-3-2-4-6-20/h2-10,15H,11-14,16H2,1H3,(H,22,23)/p+1