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

Systemtic Name: ethyl N-[(5R)-4-oxidanylidene-3-phenethyl-2-phenyl-5-(trifluoromethyl)-1H-imidazol-3-ium-5-yl]carbamate Openeye Name: ethyl N-[(5R)-4-oxo-3-phenethyl-2-phenyl-5-(trifluoromethyl)-1H-imidazol-3-ium-5-yl]carbamate CAS Name: N-[(5R)-4-oxo-3-phenethyl-2-phenyl-5-(trifluoromethyl)-1H-imidazol-3-ium-5-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[(5R)-4-oxo-3-phenethyl-2-phenyl-5-(trifluoromethyl)-1H-imidazol-3-ium-5-yl]carbamate Traditional Name: N-[(4R)-5-keto-1-phenethyl-2-phenyl-4-(trifluoromethyl)-2-imidazolin-1-ium-4-yl]carbamic acid ethyl ester Formula: C21H21F3N3O3+ MolecularWeight: 420.40495

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1(C(=O)[N+](=C(N1)C2=CC=CC=C2)CCC3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)N[C@]1(C(=O)[N+](=C(N1)C2=CC=CC=C2)CCC3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H20F3N3O3/c1-2-30-19(29)26-20(21(22,23)24)18(28)27(14-13-15-9-5-3-6-10-15)17(25-20)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H,26,29)/p+1/t20-/m1/s1