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

Systemtic Name: 1-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(phenylmethyl)piperazin-1-ium Openeye Name: 1-benzyl-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-(phenylmethyl)piperazin-1-ium IUPAC Name: 1-benzyl-4-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium Traditional Name: 1-benzyl-4-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium Formula: C21H23Cl2N4+ MolecularWeight: 402.34012

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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)CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H22Cl2N4/c22-18-6-7-19(20(23)12-18)21-17(13-24-25-21)15-27-10-8-26(9-11-27)14-16-4-2-1-3-5-16/h1-7,12-13H,8-11,14-15H2,(H,24,25)/p+1