(6-bromanylquinazolin-4-yl)-(4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)azanium chloride

Systemtic Name: (6-bromanylquinazolin-4-yl)-(4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)azanium chloride Openeye Name: (6-bromoquinazolin-4-yl)-(1-carboxy-3-methyl-butyl)ammonium chloride CAS Name: (6-bromo-4-quinazolinyl)-(1-hydroxy-4-methyl-1-oxopentan-2-yl)ammonium chloride IUPAC Name: (6-bromoquinazolin-4-yl)-(1-hydroxy-4-methyl-1-oxopentan-2-yl)azanium chloride Traditional Name: (6-bromoquinazolin-4-yl)-(1-carboxy-3-methyl-butyl)ammonium chloride Formula: C14H17BrClN3O2 MolecularWeight: 374.66068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16BrN3O2.ClH/c1-8(2)5-12(14(19)20)18-13-10-6-9(15)3-4-11(10)16-7-17-13;/h3-4,6-8,12H,5H2,1-2H3,(H,19,20)(H,16,17,18);1H