[1-(4-chlorophenyl)-5-phenyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [1-(4-chlorophenyl)-5-phenyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-(4-chlorophenyl)-5-phenyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [1-(4-chlorophenyl)-5-phenyl-4-pyrazolyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-(4-chlorophenyl)-5-phenylpyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-(4-chlorophenyl)-5-phenyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C21H22ClN4O+ MolecularWeight: 381.87858

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

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