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

Systemtic Name: (6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium Openeye Name: (6-chloro-4-oxo-1H-quinazolin-2-yl)methyl-methyl-[[4-(trifluoromethyl)phenyl]methyl]ammonium CAS Name: (6-chloro-4-oxo-1H-quinazolin-2-yl)methyl-methyl-[[4-(trifluoromethyl)phenyl]methyl]ammonium IUPAC Name: (6-chloro-4-oxo-1H-quinazolin-2-yl)methyl-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium Traditional Name: (6-chloro-4-keto-1H-quinazolin-2-yl)methyl-methyl-[4-(trifluoromethyl)benzyl]ammonium Formula: C18H16ClF3N3O+ MolecularWeight: 382.78735

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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=C(N2)C=CC(=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClF3N3O/c1-25(9-11-2-4-12(5-3-11)18(20,21)22)10-16-23-15-7-6-13(19)8-14(15)17(26)24-16/h2-8H,9-10H2,1H3,(H,23,24,26)/p+1