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

Systemtic Name: (2S)-2-[[2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]hexanoate Openeye Name: (2S)-2-[[2-(trifluoromethyl)quinazolin-4-yl]ammonio]hexanoate CAS Name: (2S)-2-[[2-(trifluoromethyl)-4-quinazolinyl]ammonio]hexanoate IUPAC Name: (2S)-2-[[2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]hexanoate Traditional Name: (2S)-2-[[2-(trifluoromethyl)quinazolin-4-yl]ammonio]hexanoate Formula: C15H16F3N3O2 MolecularWeight: 327.30165

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16F3N3O2/c1-2-3-7-11(13(22)23)19-12-9-6-4-5-8-10(9)20-14(21-12)15(16,17)18/h4-6,8,11H,2-3,7H2,1H3,(H,22,23)(H,19,20,21)/t11-/m0/s1