(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium

Systemtic Name: (6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium Openeye Name: (6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-methyl-[[4-(trifluoromethyl)phenyl]methyl]ammonium CAS Name: (6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-methyl-[[4-(trifluoromethyl)phenyl]methyl]ammonium IUPAC Name: (6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium Traditional Name: (4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl-methyl-[4-(trifluoromethyl)benzyl]ammonium Formula: C20H21F3N3O3+ MolecularWeight: 408.39425

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)C(F)(F)F)CC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)C(F)(F)F)CC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

InChI

InChI=1S/C20H20F3N3O3/c1-26(10-12-4-6-13(7-5-12)20(21,22)23)11-18-24-15-9-17(29-3)16(28-2)8-14(15)19(27)25-18/h4-9H,10-11H2,1-3H3,(H,24,25,27)/p+1