(2S)-2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]butanoate

Systemtic Name: (2S)-2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]butanoate Openeye Name: (2S)-2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]ammonio]butanoate CAS Name: (2S)-2-[[6-methyl-2-(trifluoromethyl)-4-quinazolinyl]ammonio]butanoate IUPAC Name: (2S)-2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]butanoate Traditional Name: (2S)-2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]ammonio]butyrate Formula: C14H14F3N3O2 MolecularWeight: 313.27507

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])[NH2+]C1=NC(=NC2=C1C=C(C=C2)C)C(F)(F)F

Isomeric SMILES

CC[C@@H](C(=O)[O-])[NH2+]C1=NC(=NC2=C1C=C(C=C2)C)C(F)(F)F

InChI

InChI=1S/C14H14F3N3O2/c1-3-9(12(21)22)18-11-8-6-7(2)4-5-10(8)19-13(20-11)14(15,16)17/h4-6,9H,3H2,1-2H3,(H,21,22)(H,18,19,20)/t9-/m0/s1