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

Systemtic Name: 6-azanyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one Openeye Name: 6-amino-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one CAS Name: 6-amino-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one IUPAC Name: 6-amino-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one Traditional Name: 6-amino-3-homoveratryl-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one Formula: C19H19F3N3O3+ MolecularWeight: 394.36767

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19F3N3O3/c1-27-15-6-3-11(9-16(15)28-2)7-8-25-17(26)13-10-12(23)4-5-14(13)24-18(25)19(20,21)22/h3-6,9-10,13H,7-8,23H2,1-2H3/q+1