[2-[[3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [2-[[3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [2-[[3-(6-bromo-4-oxo-quinazolin-3-yl)propanoylamino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [2-[[[3-(6-bromo-4-oxo-3-quinazolinyl)-1-oxopropyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [2-[[3-(6-bromo-4-oxoquinazolin-3-yl)propanoylamino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [2-[[3-(6-bromo-4-keto-quinazolin-3-yl)propanoylamino]methyl]benzyl]-dimethyl-ammonium Formula: C21H24BrN4O2+ MolecularWeight: 444.34486

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=CC=C1CNC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

C[NH+](C)CC1=CC=CC=C1CNC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C21H23BrN4O2/c1-25(2)13-16-6-4-3-5-15(16)12-23-20(27)9-10-26-14-24-19-8-7-17(22)11-18(19)21(26)28/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,23,27)/p+1