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

Systemtic Name: 6-azanyl-3-[(4-hydroxyphenyl)methyl]-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one Openeye Name: 6-amino-3-[(4-hydroxyphenyl)methyl]-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one CAS Name: 6-amino-3-[(4-hydroxyphenyl)methyl]-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one IUPAC Name: 6-amino-3-[(4-hydroxyphenyl)methyl]-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one Traditional Name: 6-amino-3-(4-hydroxybenzyl)-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one Formula: C16H13F3N3O2+ MolecularWeight: 336.28853

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C[N+]2=C(N=C3C=CC(=CC3C2=O)N)C(F)(F)F)O

Isomeric SMILES

C1=CC(=CC=C1C[N+]2=C(N=C3C=CC(=CC3C2=O)N)C(F)(F)F)O

InChI

InChI=1S/C16H12F3N3O2/c17-16(18,19)15-21-13-6-3-10(20)7-12(13)14(24)22(15)8-9-1-4-11(23)5-2-9/h1-7,12H,8,20H2/p+1