(2S)-2-[[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]hexanoate

Systemtic Name: (2S)-2-[[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]hexanoate Openeye Name: (2S)-2-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]ammonio]hexanoate CAS Name: (2S)-2-[[6-bromo-2-(trifluoromethyl)-4-quinazolinyl]ammonio]hexanoate IUPAC Name: (2S)-2-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]hexanoate Traditional Name: (2S)-2-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]ammonio]hexanoate Formula: C15H15BrF3N3O2 MolecularWeight: 406.19771

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15BrF3N3O2/c1-2-3-4-11(13(23)24)20-12-9-7-8(16)5-6-10(9)21-14(22-12)15(17,18)19/h5-7,11H,2-4H2,1H3,(H,23,24)(H,20,21,22)/t11-/m0/s1