1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-(phenylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[[5-(p-tolyl)-1H-pyrazol-4-yl]methyl]piperazine-1,4-diium CAS Name: 1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-[[5-(p-tolyl)-1H-pyrazol-4-yl]methyl]piperazine-1,4-diium Formula: C22H28N4+2 MolecularWeight: 348.48452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4/c1-18-7-9-20(10-8-18)22-21(15-23-24-22)17-26-13-11-25(12-14-26)16-19-5-3-2-4-6-19/h2-10,15H,11-14,16-17H2,1H3,(H,23,24)/p+2