6-azanyl-3-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one

Systemtic Name: 6-azanyl-3-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one Openeye Name: 6-amino-3-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one CAS Name: 6-amino-3-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one IUPAC Name: 6-amino-3-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one Traditional Name: 6-amino-3-p-anisyl-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one Formula: C17H15F3N3O2+ MolecularWeight: 350.31511

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15F3N3O2/c1-25-12-5-2-10(3-6-12)9-23-15(24)13-8-11(21)4-7-14(13)22-16(23)17(18,19)20/h2-8,13H,9,21H2,1H3/q+1