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

Systemtic Name: ethyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-[[3-(trifluoromethyl)phenyl]methyl]azanium Openeye Name: ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]-[[3-(trifluoromethyl)phenyl]methyl]ammonium CAS Name: ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]-[[3-(trifluoromethyl)phenyl]methyl]ammonium IUPAC Name: ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]-[[3-(trifluoromethyl)phenyl]methyl]azanium Traditional Name: ethyl-[(4-keto-1H-quinazolin-2-yl)methyl]-[3-(trifluoromethyl)benzyl]ammonium Formula: C19H19F3N3O+ MolecularWeight: 362.36887

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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=CC=C3N2

Isomeric SMILES

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

InChI

InChI=1S/C19H18F3N3O/c1-2-25(11-13-6-5-7-14(10-13)19(20,21)22)12-17-23-16-9-4-3-8-15(16)18(26)24-17/h3-10H,2,11-12H2,1H3,(H,23,24,26)/p+1