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

Systemtic Name: 2-[4-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[[5-methyl-1-[2-(trifluoromethyl)phenyl]-4-pyrazolyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[5-methyl-1-[2-(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=C2C(F)(F)F)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2C(F)(F)F)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCC4

InChI

InChI=1S/C23H28F3N5O2/c1-17-18(15-27-31(17)20-8-4-3-7-19(20)23(24,25)26)22(33)30-13-11-28(12-14-30)16-21(32)29-9-5-2-6-10-29/h3-4,7-8,15H,2,5-6,9-14,16H2,1H3/p+1