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

Systemtic Name: (2R)-2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]butanedioate Openeye Name: (2R)-2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]ammonio]butanedioate CAS Name: (2R)-2-[[6-methyl-2-(trifluoromethyl)-4-quinazolinyl]ammonio]butanedioate IUPAC Name: (2R)-2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]butanedioate Traditional Name: (2R)-2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]ammonio]succinate Formula: C14H11F3N3O4- MolecularWeight: 342.25005

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12F3N3O4/c1-6-2-3-8-7(4-6)11(20-13(19-8)14(15,16)17)18-9(12(23)24)5-10(21)22/h2-4,9H,5H2,1H3,(H,21,22)(H,23,24)(H,18,19,20)/p-1/t9-/m1/s1