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

Systemtic Name: methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-[[3-(trifluoromethyl)phenyl]methyl]azanium Openeye Name: methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]-[[3-(trifluoromethyl)phenyl]methyl]ammonium CAS Name: methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]-[[3-(trifluoromethyl)phenyl]methyl]ammonium IUPAC Name: methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]-[[3-(trifluoromethyl)phenyl]methyl]azanium Traditional Name: (4-keto-1H-quinazolin-2-yl)methyl-methyl-[3-(trifluoromethyl)benzyl]ammonium Formula: C18H17F3N3O+ MolecularWeight: 348.34229

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16F3N3O/c1-24(10-12-5-4-6-13(9-12)18(19,20)21)11-16-22-15-8-3-2-7-14(15)17(25)23-16/h2-9H,10-11H2,1H3,(H,22,23,25)/p+1