1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(phenylmethyl)piperazin-1-ium

Systemtic Name: 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(phenylmethyl)piperazin-1-ium Openeye Name: 1-benzyl-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium CAS Name: 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(phenylmethyl)piperazin-1-ium IUPAC Name: 1-benzyl-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium Traditional Name: 1-benzyl-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium Formula: C21H24ClN4+ MolecularWeight: 367.89506

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(NN=C2)C3=CC=C(C=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(NN=C2)C3=CC=C(C=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C21H23ClN4/c22-20-8-6-18(7-9-20)21-19(14-23-24-21)16-26-12-10-25(11-13-26)15-17-4-2-1-3-5-17/h1-9,14H,10-13,15-16H2,(H,23,24)/p+1