(2S)-3-methyl-2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]butanoate

Systemtic Name: (2S)-3-methyl-2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]butanoate Openeye Name: (2S)-3-methyl-2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]ammonio]butanoate CAS Name: (2S)-3-methyl-2-[[6-methyl-2-(trifluoromethyl)-4-quinazolinyl]ammonio]butanoate IUPAC Name: (2S)-3-methyl-2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]butanoate Traditional Name: (2S)-3-methyl-2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]ammonio]butyrate Formula: C15H16F3N3O2 MolecularWeight: 327.30165

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C2[NH2+]C(C(C)C)C(=O)[O-])C(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2[NH2+][C@@H](C(C)C)C(=O)[O-])C(F)(F)F

InChI

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