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

Systemtic Name: (2S)-2-[[2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]pentanedioate Openeye Name: (2S)-2-[[2-(trifluoromethyl)quinazolin-4-yl]ammonio]pentanedioate CAS Name: (2S)-2-[[2-(trifluoromethyl)-4-quinazolinyl]ammonio]pentanedioate IUPAC Name: (2S)-2-[[2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]pentanedioate Traditional Name: (2S)-2-[[2-(trifluoromethyl)quinazolin-4-yl]ammonio]glutarate Formula: C14H11F3N3O4- MolecularWeight: 342.25005

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)[NH2+]C(CCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)[NH2+][C@@H](CCC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C14H12F3N3O4/c15-14(16,17)13-19-8-4-2-1-3-7(8)11(20-13)18-9(12(23)24)5-6-10(21)22/h1-4,9H,5-6H2,(H,21,22)(H,23,24)(H,18,19,20)/p-1/t9-/m0/s1