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

Systemtic Name: 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-phenyl-piperazin-1-ium Openeye Name: 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-phenyl-piperazin-1-ium CAS Name: 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-phenylpiperazin-1-ium Traditional Name: 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-phenyl-piperazin-1-ium Formula: C20H22ClN4+ MolecularWeight: 353.86848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4/c21-18-8-6-16(7-9-18)20-17(14-22-23-20)15-24-10-12-25(13-11-24)19-4-2-1-3-5-19/h1-9,14H,10-13,15H2,(H,22,23)/p+1