methyl-[(4-methylphenyl)methyl]-[[4-oxidanylidene-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl]azanium

Systemtic Name: methyl-[(4-methylphenyl)methyl]-[[4-oxidanylidene-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl]azanium Openeye Name: methyl-[[4-oxo-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl]-(p-tolylmethyl)ammonium CAS Name: methyl-[(4-methylphenyl)methyl]-[[4-oxo-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl]ammonium IUPAC Name: methyl-[(4-methylphenyl)methyl]-[[4-oxo-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl]azanium Traditional Name: [4-keto-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl-methyl-(4-methylbenzyl)ammonium Formula: C19H19F3N3O+ MolecularWeight: 362.36887

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+](C)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+](C)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(F)(F)F

InChI

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