6-azanyl-3-[1-(4-hydroxyphenyl)ethyl]-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one

Systemtic Name: 6-azanyl-3-[1-(4-hydroxyphenyl)ethyl]-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one Openeye Name: 6-amino-3-[1-(4-hydroxyphenyl)ethyl]-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one CAS Name: 6-amino-3-[1-(4-hydroxyphenyl)ethyl]-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one IUPAC Name: 6-amino-3-[1-(4-hydroxyphenyl)ethyl]-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one Traditional Name: 6-amino-3-[1-(4-hydroxyphenyl)ethyl]-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one Formula: C17H15F3N3O2+ MolecularWeight: 350.31511

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14F3N3O2/c1-9(10-2-5-12(24)6-3-10)23-15(25)13-8-11(21)4-7-14(13)22-16(23)17(18,19)20/h2-9,13H,21H2,1H3/p+1