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

Systemtic Name: (2S)-2-[[2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]pentanoate Openeye Name: (2S)-2-[[2-(trifluoromethyl)quinazolin-4-yl]ammonio]pentanoate CAS Name: (2S)-2-[[2-(trifluoromethyl)-4-quinazolinyl]ammonio]pentanoate IUPAC Name: (2S)-2-[[2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]pentanoate Traditional Name: (2S)-2-[[2-(trifluoromethyl)quinazolin-4-yl]ammonio]valerate Formula: C14H14F3N3O2 MolecularWeight: 313.27507

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14F3N3O2/c1-2-5-10(12(21)22)18-11-8-6-3-4-7-9(8)19-13(20-11)14(15,16)17/h3-4,6-7,10H,2,5H2,1H3,(H,21,22)(H,18,19,20)/t10-/m0/s1