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

Systemtic Name: [(2Z)-2-[(5-bromanyl-1-benzofuran-2-yl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[(2Z)-2-[(5-bromobenzofuran-2-yl)methylene]-6-hydroxy-3-oxo-benzofuran-7-yl]methyl]-methyl-ammonium CAS Name: [(2Z)-2-[(5-bromo-2-benzofuranyl)methylidene]-6-hydroxy-3-oxo-7-benzofuranyl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[(2Z)-2-[(5-bromo-1-benzofuran-2-yl)methylidene]-6-hydroxy-3-oxo-1-benzofuran-7-yl]methyl]-methylazanium Traditional Name: benzyl-[[(2Z)-2-[(5-bromobenzofuran-2-yl)methylene]-6-hydroxy-3-keto-coumaran-7-yl]methyl]-methyl-ammonium Formula: C26H21BrNO4+ MolecularWeight: 491.35324

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2OC(=CC4=CC5=C(O4)C=CC(=C5)Br)C3=O)O

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2O/C(=C\C4=CC5=C(O4)C=CC(=C5)Br)/C3=O)O

InChI

InChI=1S/C26H20BrNO4/c1-28(14-16-5-3-2-4-6-16)15-21-22(29)9-8-20-25(30)24(32-26(20)21)13-19-12-17-11-18(27)7-10-23(17)31-19/h2-13,29H,14-15H2,1H3/p+1/b24-13-