(6-bromanyl-1,3-benzodioxol-5-yl)methylidene-[(2-pyridin-4-ylquinolin-4-yl)carbonylamino]azanium

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methylidene-[(2-pyridin-4-ylquinolin-4-yl)carbonylamino]azanium Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methylene-[[2-(4-pyridyl)quinoline-4-carbonyl]amino]ammonium CAS Name: (6-bromo-1,3-benzodioxol-5-yl)methylidene-[[oxo-(2-pyridin-4-yl-4-quinolinyl)methyl]amino]ammonium IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methylidene-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]azanium Traditional Name: (6-bromo-1,3-benzodioxol-5-yl)methylene-[[2-(4-pyridyl)quinoline-4-carbonyl]amino]ammonium Formula: C23H16BrN4O3+ MolecularWeight: 476.30214

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=[NH+]NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C=[NH+]NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5)Br

InChI

InChI=1S/C23H15BrN4O3/c24-18-11-22-21(30-13-31-22)9-15(18)12-26-28-23(29)17-10-20(14-5-7-25-8-6-14)27-19-4-2-1-3-16(17)19/h1-12H,13H2,(H,28,29)/p+1