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

Systemtic Name: [1-(4-chlorophenyl)-5-methyl-pyrazol-4-yl]-(4-phenethylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-(4-chlorophenyl)-5-methyl-pyrazol-4-yl]-(4-phenethylpiperazin-4-ium-1-yl)methanone CAS Name: [1-(4-chlorophenyl)-5-methyl-4-pyrazolyl]-(4-phenethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-(4-chlorophenyl)-5-methylpyrazol-4-yl]-(4-phenethylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-(4-chlorophenyl)-5-methyl-pyrazol-4-yl]-(4-phenethylpiperazin-4-ium-1-yl)methanone Formula: C23H26ClN4O+ MolecularWeight: 409.93174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H25ClN4O/c1-18-22(17-25-28(18)21-9-7-20(24)8-10-21)23(29)27-15-13-26(14-16-27)12-11-19-5-3-2-4-6-19/h2-10,17H,11-16H2,1H3/p+1