2-(2,3-dimethyl-4-oxidanylidene-1H-quinazoline-1,3-diium-1-yl)ethanamide bromide

Systemtic Name: 2-(2,3-dimethyl-4-oxidanylidene-1H-quinazoline-1,3-diium-1-yl)ethanamide bromide Openeye Name: 2-(2,3-dimethyl-4-oxo-1H-quinazoline-1,3-diium-1-yl)acetamide bromide CAS Name: 2-(2,3-dimethyl-4-oxo-1H-quinazoline-1,3-diium-1-yl)acetamide bromide IUPAC Name: 2-(2,3-dimethyl-4-oxo-1H-quinazoline-1,3-diium-1-yl)acetamide bromide Traditional Name: 2-(4-keto-2,3-dimethyl-1H-quinazoline-1,3-diium-1-yl)acetamide bromide Formula: C12H15BrN3O2+ MolecularWeight: 313.1704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=O)C2=CC=CC=C2[NH+]1CC(=O)N)C.[Br-]

Isomeric SMILES

CC1=[N+](C(=O)C2=CC=CC=C2[NH+]1CC(=O)N)C.[Br-]

InChI

InChI=1S/C12H13N3O2.BrH/c1-8-14(2)12(17)9-5-3-4-6-10(9)15(8)7-11(13)16;/h3-6H,7H2,1-2H3,(H-,13,16);1H/p+1