4-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]-1-phenyl-piperazin-4-ium-2-one

Systemtic Name: 4-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]-1-phenyl-piperazin-4-ium-2-one Openeye Name: 4-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]-1-phenyl-piperazin-4-ium-2-one CAS Name: 4-[[3-(3-chlorophenyl)-1-methyl-4-pyrazolyl]methyl]-1-phenyl-2-piperazin-4-iumone IUPAC Name: 4-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-1-phenylpiperazin-4-ium-2-one Traditional Name: 4-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]-1-phenyl-piperazin-4-ium-2-one Formula: C21H22ClN4O+ MolecularWeight: 381.87858

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC(=CC=C2)Cl)C[NH+]3CCN(C(=O)C3)C4=CC=CC=C4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC(=CC=C2)Cl)C[NH+]3CCN(C(=O)C3)C4=CC=CC=C4

InChI

InChI=1S/C21H21ClN4O/c1-24-13-17(21(23-24)16-6-5-7-18(22)12-16)14-25-10-11-26(20(27)15-25)19-8-3-2-4-9-19/h2-9,12-13H,10-11,14-15H2,1H3/p+1