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

Systemtic Name: 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(diphenylmethyl)piperazin-1-ium Openeye Name: 1-benzhydryl-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium CAS Name: 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(diphenylmethyl)piperazin-1-ium IUPAC Name: 1-benzhydryl-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium Traditional Name: 1-benzhydryl-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium Formula: C27H28ClN4+ MolecularWeight: 443.99102

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(NN=C2)C3=CC=C(C=C3)Cl)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(NN=C2)C3=CC=C(C=C3)Cl)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H27ClN4/c28-25-13-11-21(12-14-25)26-24(19-29-30-26)20-31-15-17-32(18-16-31)27(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,19,27H,15-18,20H2,(H,29,30)/p+1