3-methoxy-N-[(5R)-4-oxidanylidene-2-phenyl-3-prop-2-enyl-5-(trifluoromethyl)-1H-imidazol-3-ium-5-yl]benzamide

Systemtic Name: 3-methoxy-N-[(5R)-4-oxidanylidene-2-phenyl-3-prop-2-enyl-5-(trifluoromethyl)-1H-imidazol-3-ium-5-yl]benzamide Openeye Name: N-[(5R)-3-allyl-4-oxo-2-phenyl-5-(trifluoromethyl)-1H-imidazol-3-ium-5-yl]-3-methoxy-benzamide CAS Name: 3-methoxy-N-[(5R)-4-oxo-2-phenyl-3-prop-2-enyl-5-(trifluoromethyl)-1H-imidazol-3-ium-5-yl]benzamide IUPAC Name: 3-methoxy-N-[(5R)-4-oxo-2-phenyl-3-prop-2-enyl-5-(trifluoromethyl)-1H-imidazol-3-ium-5-yl]benzamide Traditional Name: N-[(4R)-1-allyl-5-keto-2-phenyl-4-(trifluoromethyl)-2-imidazolin-1-ium-4-yl]-3-methoxy-benzamide Formula: C21H19F3N3O3+ MolecularWeight: 418.38907

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC2(C(=O)[N+](=C(N2)C3=CC=CC=C3)CC=C)C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N[C@]2(C(=O)[N+](=C(N2)C3=CC=CC=C3)CC=C)C(F)(F)F

InChI

InChI=1S/C21H18F3N3O3/c1-3-12-27-17(14-8-5-4-6-9-14)25-20(19(27)29,21(22,23)24)26-18(28)15-10-7-11-16(13-15)30-2/h3-11,13H,1,12H2,2H3,(H,26,28)/p+1/t20-/m1/s1