3-(2-methylphenyl)-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one

Systemtic Name: 3-(2-methylphenyl)-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one Openeye Name: 3-(o-tolyl)-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one CAS Name: 3-(2-methylphenyl)-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one IUPAC Name: 3-(2-methylphenyl)-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one Traditional Name: 3-(o-tolyl)-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one Formula: C16H12F3N2O+ MolecularWeight: 305.27449

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1[N+]2=C(N=C3C=CC=CC3C2=O)C(F)(F)F

Isomeric SMILES

CC1=CC=CC=C1[N+]2=C(N=C3C=CC=CC3C2=O)C(F)(F)F

InChI

InChI=1S/C16H12F3N2O/c1-10-6-2-5-9-13(10)21-14(22)11-7-3-4-8-12(11)20-15(21)16(17,18)19/h2-9,11H,1H3/q+1