1-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-methyl-piperazine-1,4-diium

Systemtic Name: 1-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]methyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-methyl-piperazine-1,4-diium Formula: C21H25ClN4+2 MolecularWeight: 368.903

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H23ClN4/c1-24-11-13-25(14-12-24)15-18-16-26(20-5-3-2-4-6-20)23-21(18)17-7-9-19(22)10-8-17/h2-10,16H,11-15H2,1H3/p+2