[(2Z)-2-[(6-bromanyl-4H-1,3-benzodioxin-8-yl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-butyl-methyl-azanium

Systemtic Name: [(2Z)-2-[(6-bromanyl-4H-1,3-benzodioxin-8-yl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-butyl-methyl-azanium Openeye Name: [(2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-6-hydroxy-3-oxo-benzofuran-7-yl]methyl-butyl-methyl-ammonium CAS Name: [(2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylidene]-6-hydroxy-3-oxo-7-benzofuranyl]methyl-butyl-methylammonium IUPAC Name: [(2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylidene]-6-hydroxy-3-oxo-1-benzofuran-7-yl]methyl-butyl-methylazanium Traditional Name: [(2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-6-hydroxy-3-keto-coumaran-7-yl]methyl-butyl-methyl-ammonium Formula: C23H25BrNO5+ MolecularWeight: 475.3523

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CC1=C(C=CC2=C1OC(=CC3=CC(=CC4=C3OCOC4)Br)C2=O)O

Isomeric SMILES

CCCC[NH+](C)CC1=C(C=CC2=C1O/C(=C\C3=CC(=CC4=C3OCOC4)Br)/C2=O)O

InChI

InChI=1S/C23H24BrNO5/c1-3-4-7-25(2)11-18-19(26)6-5-17-21(27)20(30-23(17)18)10-14-8-16(24)9-15-12-28-13-29-22(14)15/h5-6,8-10,26H,3-4,7,11-13H2,1-2H3/p+1/b20-10-