1-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(diphenylmethyl)piperazin-1-ium

Systemtic Name: 1-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(diphenylmethyl)piperazin-1-ium Openeye Name: 1-benzhydryl-4-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium CAS Name: 1-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(diphenylmethyl)piperazin-1-ium IUPAC Name: 1-benzhydryl-4-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium Traditional Name: 1-benzhydryl-4-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium Formula: C27H27Cl2N4+ MolecularWeight: 478.43608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26Cl2N4/c28-23-11-12-24(25(29)17-23)26-22(18-30-31-26)19-32-13-15-33(16-14-32)27(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,17-18,27H,13-16,19H2,(H,30,31)/p+1