N-[2-[6-azanyl-4-oxidanylidene-2-(trifluoromethyl)-6H-quinazolin-3-ium-3-yl]ethyl]ethanamide

Systemtic Name: N-[2-[6-azanyl-4-oxidanylidene-2-(trifluoromethyl)-6H-quinazolin-3-ium-3-yl]ethyl]ethanamide Openeye Name: N-[2-[6-amino-4-oxo-2-(trifluoromethyl)-6H-quinazolin-3-ium-3-yl]ethyl]acetamide CAS Name: N-[2-[6-amino-4-oxo-2-(trifluoromethyl)-6H-quinazolin-3-ium-3-yl]ethyl]acetamide IUPAC Name: N-[2-[6-amino-4-oxo-2-(trifluoromethyl)-6H-quinazolin-3-ium-3-yl]ethyl]acetamide Traditional Name: N-[2-[6-amino-4-keto-2-(trifluoromethyl)-6H-quinazolin-3-ium-3-yl]ethyl]acetamide Formula: C13H14F3N4O2+ MolecularWeight: 315.27107

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC[N+]1=C(N=C2C=CC(C=C2C1=O)N)C(F)(F)F

Isomeric SMILES

CC(=O)NCC[N+]1=C(N=C2C=CC(C=C2C1=O)N)C(F)(F)F

InChI

InChI=1S/C13H13F3N4O2/c1-7(21)18-4-5-20-11(22)9-6-8(17)2-3-10(9)19-12(20)13(14,15)16/h2-3,6,8H,4-5,17H2,1H3/p+1