(2R)-2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]pentanedioate

Systemtic Name: (2R)-2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]pentanedioate Openeye Name: (2R)-2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]ammonio]pentanedioate CAS Name: (2R)-2-[[6-methyl-2-(trifluoromethyl)-4-quinazolinyl]ammonio]pentanedioate IUPAC Name: (2R)-2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]pentanedioate Traditional Name: (2R)-2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]ammonio]glutarate Formula: C15H13F3N3O4- MolecularWeight: 356.27663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14F3N3O4/c1-7-2-3-9-8(6-7)12(21-14(20-9)15(16,17)18)19-10(13(24)25)4-5-11(22)23/h2-3,6,10H,4-5H2,1H3,(H,22,23)(H,24,25)(H,19,20,21)/p-1/t10-/m1/s1