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

Systemtic Name: 1-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-4-phenyl-piperazin-1-ium Openeye Name: 1-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-4-phenyl-piperazin-1-ium CAS Name: 1-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-4-phenylpiperazin-1-ium Traditional Name: 1-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-4-phenyl-piperazin-1-ium Formula: C20H21Cl2N4+ MolecularWeight: 388.31354

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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)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C20H20Cl2N4/c21-16-6-7-18(19(22)12-16)20-15(13-23-24-20)14-25-8-10-26(11-9-25)17-4-2-1-3-5-17/h1-7,12-13H,8-11,14H2,(H,23,24)/p+1