(4R)-2-phenyl-4-(pyrimidin-2-ylamino)-4-(trifluoromethyl)-1H-imidazol-3-ium-5-one

Systemtic Name: (4R)-2-phenyl-4-(pyrimidin-2-ylamino)-4-(trifluoromethyl)-1H-imidazol-3-ium-5-one Openeye Name: (4R)-2-phenyl-4-(pyrimidin-2-ylamino)-4-(trifluoromethyl)-1H-imidazol-3-ium-5-one CAS Name: (4R)-2-phenyl-4-(2-pyrimidinylamino)-4-(trifluoromethyl)-1H-imidazol-3-ium-5-one IUPAC Name: (4R)-2-phenyl-4-(pyrimidin-2-ylamino)-4-(trifluoromethyl)-1H-imidazol-3-ium-5-one Traditional Name: (5R)-2-phenyl-5-(2-pyrimidylamino)-5-(trifluoromethyl)-2-imidazolin-1-ium-4-one Formula: C14H11F3N5O+ MolecularWeight: 322.26525

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=[NH+]C(C(=O)N2)(C(F)(F)F)NC3=NC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)C2=[NH+][C@](C(=O)N2)(C(F)(F)F)NC3=NC=CC=N3

InChI

InChI=1S/C14H10F3N5O/c15-14(16,17)13(22-12-18-7-4-8-19-12)11(23)20-10(21-13)9-5-2-1-3-6-9/h1-8H,(H,18,19,22)(H,20,21,23)/p+1/t13-/m0/s1