1-[[4-oxidanylidene-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]methyl]pyridin-1-ium-4-carbaldehyde bromide

Systemtic Name: 1-[[4-oxidanylidene-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]methyl]pyridin-1-ium-4-carbaldehyde bromide Openeye Name: 1-[[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]methyl]pyridin-1-ium-4-carbaldehyde bromide CAS Name: 1-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-2-quinazolinyl]methyl]-4-pyridin-1-iumcarboxaldehyde bromide IUPAC Name: 1-[[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]methyl]pyridin-1-ium-4-carbaldehyde bromide Traditional Name: 1-[[4-keto-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]methyl]pyridin-1-ium-4-carbaldehyde bromide Formula: C22H15BrF3N3O2 MolecularWeight: 490.27261

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)C[N+]3=CC=C(C=C3)C=O)C4=CC=CC(=C4)C(F)(F)F.[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)C[N+]3=CC=C(C=C3)C=O)C4=CC=CC(=C4)C(F)(F)F.[Br-]

InChI

InChI=1S/C22H15F3N3O2.BrH/c23-22(24,25)16-4-3-5-17(12-16)28-20(13-27-10-8-15(14-29)9-11-27)26-19-7-2-1-6-18(19)21(28)30;/h1-12,14H,13H2;1H/q+1;/p-1