1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium

Systemtic Name: 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium Openeye Name: 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium CAS Name: 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium IUPAC Name: 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium Traditional Name: 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium Formula: C22H26ClN4+ MolecularWeight: 381.92164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=C(NN=C3)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=C(NN=C3)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C22H25ClN4/c1-16-4-3-5-21(17(16)2)27-12-10-26(11-13-27)15-19-14-24-25-22(19)18-6-8-20(23)9-7-18/h3-9,14H,10-13,15H2,1-2H3,(H,24,25)/p+1