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

Systemtic Name: 3-(4-methoxyphenyl)-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one Openeye Name: 3-(4-methoxyphenyl)-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one CAS Name: 3-(4-methoxyphenyl)-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one IUPAC Name: 3-(4-methoxyphenyl)-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one Traditional Name: 3-(4-methoxyphenyl)-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one Formula: C16H12F3N2O2+ MolecularWeight: 321.27389

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)[N+]2=C(N=C3C=CC=CC3C2=O)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)[N+]2=C(N=C3C=CC=CC3C2=O)C(F)(F)F

InChI

InChI=1S/C16H12F3N2O2/c1-23-11-8-6-10(7-9-11)21-14(22)12-4-2-3-5-13(12)20-15(21)16(17,18)19/h2-9,12H,1H3/q+1