5-methyl-2-[3-[(3-oxidanylazetidin-1-ium-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyrimidin-4-olate

Systemtic Name: 5-methyl-2-[3-[(3-oxidanylazetidin-1-ium-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyrimidin-4-olate Openeye Name: 2-[3-[(3-hydroxyazetidin-1-ium-1-yl)methyl]phenyl]-5-methyl-6-(trifluoromethyl)pyrimidin-4-olate CAS Name: 2-[3-[(3-hydroxy-1-azetidin-1-iumyl)methyl]phenyl]-5-methyl-6-(trifluoromethyl)-4-pyrimidinolate IUPAC Name: 2-[3-[(3-hydroxyazetidin-1-ium-1-yl)methyl]phenyl]-5-methyl-6-(trifluoromethyl)pyrimidin-4-olate Traditional Name: 2-[3-[(3-hydroxyazetidin-1-ium-1-yl)methyl]phenyl]-5-methyl-6-(trifluoromethyl)pyrimidin-4-olate Formula: C16H16F3N3O2 MolecularWeight: 339.31235

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1[O-])C2=CC(=CC=C2)C[NH+]3CC(C3)O)C(F)(F)F

Isomeric SMILES

CC1=C(N=C(N=C1[O-])C2=CC(=CC=C2)C[NH+]3CC(C3)O)C(F)(F)F

InChI

InChI=1S/C16H16F3N3O2/c1-9-13(16(17,18)19)20-14(21-15(9)24)11-4-2-3-10(5-11)6-22-7-12(23)8-22/h2-5,12,23H,6-8H2,1H3,(H,20,21,24)