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

Systemtic Name: N-[(5R)-4-oxidanylidene-3-phenethyl-2-phenyl-5-(trifluoromethyl)-1H-imidazol-3-ium-5-yl]butanamide Openeye Name: N-[(5R)-4-oxo-3-phenethyl-2-phenyl-5-(trifluoromethyl)-1H-imidazol-3-ium-5-yl]butanamide CAS Name: N-[(5R)-4-oxo-3-phenethyl-2-phenyl-5-(trifluoromethyl)-1H-imidazol-3-ium-5-yl]butanamide IUPAC Name: N-[(5R)-4-oxo-3-phenethyl-2-phenyl-5-(trifluoromethyl)-1H-imidazol-3-ium-5-yl]butanamide Traditional Name: N-[(4R)-5-keto-1-phenethyl-2-phenyl-4-(trifluoromethyl)-2-imidazolin-1-ium-4-yl]butyramide Formula: C22H23F3N3O2+ MolecularWeight: 418.43213

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22F3N3O2/c1-2-9-18(29)26-21(22(23,24)25)20(30)28(15-14-16-10-5-3-6-11-16)19(27-21)17-12-7-4-8-13-17/h3-8,10-13H,2,9,14-15H2,1H3,(H,26,29)/p+1/t21-/m0/s1