2-[4-[1-(4-chlorophenyl)-5-methyl-pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[1-(4-chlorophenyl)-5-methyl-pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[1-(4-chlorophenyl)-5-methyl-pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[1-(4-chlorophenyl)-5-methyl-4-pyrazolyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[1-(4-chlorophenyl)-5-methylpyrazole-4-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[1-(4-chlorophenyl)-5-methyl-pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C21H27ClN5O2+ MolecularWeight: 416.92438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C21H26ClN5O2/c1-16-19(14-23-27(16)18-6-4-17(22)5-7-18)21(29)26-12-10-24(11-13-26)15-20(28)25-8-2-3-9-25/h4-7,14H,2-3,8-13,15H2,1H3/p+1