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

Systemtic Name: 6-azanyl-3-[1-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one Openeye Name: 6-amino-3-[1-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one CAS Name: 6-amino-3-[1-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one IUPAC Name: 6-amino-3-[1-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one Traditional Name: 6-amino-3-[1-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one Formula: C18H17F3N3O2+ MolecularWeight: 364.34169

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17F3N3O2/c1-10(11-3-6-13(26-2)7-4-11)24-16(25)14-9-12(22)5-8-15(14)23-17(24)18(19,20)21/h3-10,14H,22H2,1-2H3/q+1