(2S)-2-[(6-bromanylquinazolin-4-yl)azaniumyl]hexanoate

Systemtic Name: (2S)-2-[(6-bromanylquinazolin-4-yl)azaniumyl]hexanoate Openeye Name: (2S)-2-[(6-bromoquinazolin-4-yl)ammonio]hexanoate CAS Name: (2S)-2-[(6-bromo-4-quinazolinyl)ammonio]hexanoate IUPAC Name: (2S)-2-[(6-bromoquinazolin-4-yl)azaniumyl]hexanoate Traditional Name: (2S)-2-[(6-bromoquinazolin-4-yl)ammonio]hexanoate Formula: C14H16BrN3O2 MolecularWeight: 338.19974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16BrN3O2/c1-2-3-4-12(14(19)20)18-13-10-7-9(15)5-6-11(10)16-8-17-13/h5-8,12H,2-4H2,1H3,(H,19,20)(H,16,17,18)/t12-/m0/s1