ethyl N-[(4R)-5-oxidanylidene-2-phenyl-4-(trifluoromethyl)-1H-imidazol-3-ium-4-yl]carbamate

Systemtic Name: ethyl N-[(4R)-5-oxidanylidene-2-phenyl-4-(trifluoromethyl)-1H-imidazol-3-ium-4-yl]carbamate Openeye Name: ethyl N-[(4R)-5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-3-ium-4-yl]carbamate CAS Name: N-[(4R)-5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-3-ium-4-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[(4R)-5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-3-ium-4-yl]carbamate Traditional Name: N-[(4R)-5-keto-2-phenyl-4-(trifluoromethyl)-2-imidazolin-3-ium-4-yl]carbamic acid ethyl ester Formula: C13H13F3N3O3+ MolecularWeight: 316.25583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1(C(=O)NC(=[NH+]1)C2=CC=CC=C2)C(F)(F)F

Isomeric SMILES

CCOC(=O)N[C@@]1(C(=O)NC(=[NH+]1)C2=CC=CC=C2)C(F)(F)F

InChI

InChI=1S/C13H12F3N3O3/c1-2-22-11(21)19-12(13(14,15)16)10(20)17-9(18-12)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,19,21)(H,17,18,20)/p+1/t12-/m0/s1