(6-bromanylquinazolin-4-yl)-(1-oxidanyl-1-oxidanylidene-butan-2-yl)azanium

Systemtic Name: (6-bromanylquinazolin-4-yl)-(1-oxidanyl-1-oxidanylidene-butan-2-yl)azanium Openeye Name: (6-bromoquinazolin-4-yl)-(1-carboxypropyl)ammonium CAS Name: (6-bromo-4-quinazolinyl)-(1-hydroxy-1-oxobutan-2-yl)ammonium IUPAC Name: (6-bromoquinazolin-4-yl)-(1-hydroxy-1-oxobutan-2-yl)azanium Traditional Name: (6-bromoquinazolin-4-yl)-(1-carboxypropyl)ammonium Formula: C12H13BrN3O2+ MolecularWeight: 311.15452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12BrN3O2/c1-2-9(12(17)18)16-11-8-5-7(13)3-4-10(8)14-6-15-11/h3-6,9H,2H2,1H3,(H,17,18)(H,14,15,16)/p+1