[(2Z)-2-[(5-bromanyl-2-methoxy-phenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-methyl-(phenylmethyl)azanium

Systemtic Name: [(2Z)-2-[(5-bromanyl-2-methoxy-phenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[(2Z)-2-[(5-bromo-2-methoxy-phenyl)methylene]-6-hydroxy-3-oxo-benzofuran-7-yl]methyl]-methyl-ammonium CAS Name: [(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-6-hydroxy-3-oxo-7-benzofuranyl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-6-hydroxy-3-oxo-1-benzofuran-7-yl]methyl]-methylazanium Traditional Name: benzyl-[[(2Z)-2-(5-bromo-2-methoxy-benzylidene)-6-hydroxy-3-keto-coumaran-7-yl]methyl]-methyl-ammonium Formula: C25H23BrNO4+ MolecularWeight: 481.35842

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2OC(=CC4=C(C=CC(=C4)Br)OC)C3=O)O

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2O/C(=C\C4=C(C=CC(=C4)Br)OC)/C3=O)O

InChI

InChI=1S/C25H22BrNO4/c1-27(14-16-6-4-3-5-7-16)15-20-21(28)10-9-19-24(29)23(31-25(19)20)13-17-12-18(26)8-11-22(17)30-2/h3-13,28H,14-15H2,1-2H3/p+1/b23-13-