3-[[3-(trifluoromethyl)phenyl]methyl]-4aH-quinazolin-3-ium-4-one

Systemtic Name: 3-[[3-(trifluoromethyl)phenyl]methyl]-4aH-quinazolin-3-ium-4-one Openeye Name: 3-[[3-(trifluoromethyl)phenyl]methyl]-4aH-quinazolin-3-ium-4-one CAS Name: 3-[[3-(trifluoromethyl)phenyl]methyl]-4aH-quinazolin-3-ium-4-one IUPAC Name: 3-[[3-(trifluoromethyl)phenyl]methyl]-4aH-quinazolin-3-ium-4-one Traditional Name: 3-[3-(trifluoromethyl)benzyl]-4aH-quinazolin-3-ium-4-one Formula: C16H12F3N2O+ MolecularWeight: 305.27449

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2C(=NC=[N+](C2=O)CC3=CC(=CC=C3)C(F)(F)F)C=C1

Isomeric SMILES

C1=CC2C(=NC=[N+](C2=O)CC3=CC(=CC=C3)C(F)(F)F)C=C1

InChI

InChI=1S/C16H12F3N2O/c17-16(18,19)12-5-3-4-11(8-12)9-21-10-20-14-7-2-1-6-13(14)15(21)22/h1-8,10,13H,9H2/q+1