[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-(4-phenethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [5-(4-chlorophenyl)-1H-pyrazol-4-yl]-(4-phenethylpiperazin-4-ium-1-yl)methanone Openeye Name: [5-(4-chlorophenyl)-1H-pyrazol-4-yl]-(4-phenethylpiperazin-4-ium-1-yl)methanone CAS Name: [5-(4-chlorophenyl)-1H-pyrazol-4-yl]-(4-phenethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [5-(4-chlorophenyl)-1H-pyrazol-4-yl]-(4-phenethylpiperazin-4-ium-1-yl)methanone Traditional Name: [5-(4-chlorophenyl)-1H-pyrazol-4-yl]-(4-phenethylpiperazin-4-ium-1-yl)methanone Formula: C22H24ClN4O+ MolecularWeight: 395.90516

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)C3=C(NN=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)C3=C(NN=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H23ClN4O/c23-19-8-6-18(7-9-19)21-20(16-24-25-21)22(28)27-14-12-26(13-15-27)11-10-17-4-2-1-3-5-17/h1-9,16H,10-15H2,(H,24,25)/p+1