1-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-2-ethyl-3-methyl-1H-quinazoline-1,3-diium-4-one bromide

Systemtic Name: 1-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-2-ethyl-3-methyl-1H-quinazoline-1,3-diium-4-one bromide Openeye Name: 1-[2-(4-bromophenyl)-2-oxo-ethyl]-2-ethyl-3-methyl-1H-quinazoline-1,3-diium-4-one bromide CAS Name: 1-[2-(4-bromophenyl)-2-oxoethyl]-2-ethyl-3-methyl-1H-quinazoline-1,3-diium-4-one bromide IUPAC Name: 1-[2-(4-bromophenyl)-2-oxoethyl]-2-ethyl-3-methyl-1H-quinazoline-1,3-diium-4-one bromide Traditional Name: 1-[2-(4-bromophenyl)-2-keto-ethyl]-2-ethyl-3-methyl-1H-quinazoline-1,3-diium-4-one bromide Formula: C19H19Br2N2O2+ MolecularWeight: 467.17436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=[N+](C(=O)C2=CC=CC=C2[NH+]1CC(=O)C3=CC=C(C=C3)Br)C.[Br-]

Isomeric SMILES

CCC1=[N+](C(=O)C2=CC=CC=C2[NH+]1CC(=O)C3=CC=C(C=C3)Br)C.[Br-]

InChI

InChI=1S/C19H18BrN2O2.BrH/c1-3-18-21(2)19(24)15-6-4-5-7-16(15)22(18)12-17(23)13-8-10-14(20)11-9-13;/h4-11H,3,12H2,1-2H3;1H/q+1;