[(8aS)-1,3,4,5,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-5-ium-2-yl]-[5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone

Systemtic Name: [(8aS)-1,3,4,5,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-5-ium-2-yl]-[5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone Openeye Name: [(8aS)-1,3,4,5,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-5-ium-2-yl]-[5-(p-tolyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone CAS Name: [(8aS)-1,3,4,5,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-5-ium-2-yl]-[5-(4-methylphenyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinyl]methanone IUPAC Name: [(8aS)-1,3,4,5,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-5-ium-2-yl]-[5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone Traditional Name: [(8aS)-1,3,4,5,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-5-ium-2-yl]-[5-(p-tolyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone Formula: C22H23F3N5O+ MolecularWeight: 430.44613

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)N4CC[NH+]5CCCC5C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)N4CC[NH+]5CCC[C@H]5C4

InChI

InChI=1S/C22H22F3N5O/c1-14-4-6-15(7-5-14)17-11-19(22(23,24)25)30-20(26-17)12-18(27-30)21(31)29-10-9-28-8-2-3-16(28)13-29/h4-7,11-12,16H,2-3,8-10,13H2,1H3/p+1/t16-/m0/s1