2-[4-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[[5-methyl-1-[3-(trifluoromethyl)phenyl]-4-pyrazolyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-1-piperidino-ethanone Formula: C23H29F3N5O2+ MolecularWeight: 464.50387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCC4

InChI

InChI=1S/C23H28F3N5O2/c1-17-20(15-27-31(17)19-7-5-6-18(14-19)23(24,25)26)22(33)30-12-10-28(11-13-30)16-21(32)29-8-3-2-4-9-29/h5-7,14-15H,2-4,8-13,16H2,1H3/p+1