6-cyclobutyl-2-[3-[[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-cyclobutyl-2-[3-[[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 6-cyclobutyl-2-[3-[[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 6-cyclobutyl-2-[3-[[(3S)-3-(trifluoromethyl)-1-piperidin-1-iumyl]methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-cyclobutyl-2-[3-[[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 6-cyclobutyl-2-[3-[[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Formula: C21H25F3N3O+ MolecularWeight: 392.43791

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C2=CC(=O)N=C(N2)C3=CC(=CC=C3)C[NH+]4CCCC(C4)C(F)(F)F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4CCC4)C(F)(F)F

InChI

InChI=1S/C21H24F3N3O/c22-21(23,24)17-8-3-9-27(13-17)12-14-4-1-7-16(10-14)20-25-18(11-19(28)26-20)15-5-2-6-15/h1,4,7,10-11,15,17H,2-3,5-6,8-9,12-13H2,(H,25,26,28)/p+1/t17-/m0/s1