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

Systemtic Name: (2S)-2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]hexanoate Openeye Name: (2S)-2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]ammonio]hexanoate CAS Name: (2S)-2-[[6-methyl-2-(trifluoromethyl)-4-quinazolinyl]ammonio]hexanoate IUPAC Name: (2S)-2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]hexanoate Traditional Name: (2S)-2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]ammonio]hexanoate Formula: C16H18F3N3O2 MolecularWeight: 341.32823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18F3N3O2/c1-3-4-5-12(14(23)24)20-13-10-8-9(2)6-7-11(10)21-15(22-13)16(17,18)19/h6-8,12H,3-5H2,1-2H3,(H,23,24)(H,20,21,22)/t12-/m0/s1