2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C18H21F3N5O+ MolecularWeight: 380.38745

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(=NN2CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C(F)(F)F

Isomeric SMILES

C1CC1C2=CC(=NN2CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C(F)(F)F

InChI

InChI=1S/C18H20F3N5O/c19-18(20,21)15-11-14(13-4-5-13)26(23-15)12-17(27)25-9-7-24(8-10-25)16-3-1-2-6-22-16/h1-3,6,11,13H,4-5,7-10,12H2/p+1