(2S)-2-[[2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]propanoate

Systemtic Name: (2S)-2-[[2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]propanoate Openeye Name: (2S)-2-[[2-(trifluoromethyl)quinazolin-4-yl]ammonio]propanoate CAS Name: (2S)-2-[[2-(trifluoromethyl)-4-quinazolinyl]ammonio]propanoate IUPAC Name: (2S)-2-[[2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]propanoate Traditional Name: (2S)-2-[[2-(trifluoromethyl)quinazolin-4-yl]ammonio]propionate Formula: C12H10F3N3O2 MolecularWeight: 285.22191

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])[NH2+]C1=NC(=NC2=CC=CC=C21)C(F)(F)F

Isomeric SMILES

C[C@@H](C(=O)[O-])[NH2+]C1=NC(=NC2=CC=CC=C21)C(F)(F)F

InChI

InChI=1S/C12H10F3N3O2/c1-6(10(19)20)16-9-7-4-2-3-5-8(7)17-11(18-9)12(13,14)15/h2-6H,1H3,(H,19,20)(H,16,17,18)/t6-/m0/s1