(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl-ethyl-[[3-(trifluoromethyl)phenyl]methyl]azanium

Systemtic Name: (6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl-ethyl-[[3-(trifluoromethyl)phenyl]methyl]azanium Openeye Name: (6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-ethyl-[[3-(trifluoromethyl)phenyl]methyl]ammonium CAS Name: (6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-ethyl-[[3-(trifluoromethyl)phenyl]methyl]ammonium IUPAC Name: (6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-ethyl-[[3-(trifluoromethyl)phenyl]methyl]azanium Traditional Name: ethyl-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]-[3-(trifluoromethyl)benzyl]ammonium Formula: C21H23F3N3O3+ MolecularWeight: 422.42083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22F3N3O3/c1-4-27(11-13-6-5-7-14(8-13)21(22,23)24)12-19-25-16-10-18(30-3)17(29-2)9-15(16)20(28)26-19/h5-10H,4,11-12H2,1-3H3,(H,25,26,28)/p+1