[(2E)-2-[(5-bromanyl-1-benzofuran-2-yl)methylidene]-4-methyl-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-dipropyl-azanium

Systemtic Name: [(2E)-2-[(5-bromanyl-1-benzofuran-2-yl)methylidene]-4-methyl-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-dipropyl-azanium Openeye Name: [(2E)-2-[(5-bromobenzofuran-2-yl)methylene]-6-hydroxy-4-methyl-3-oxo-benzofuran-7-yl]methyl-dipropyl-ammonium CAS Name: [(2E)-2-[(5-bromo-2-benzofuranyl)methylidene]-6-hydroxy-4-methyl-3-oxo-7-benzofuranyl]methyl-dipropylammonium IUPAC Name: [(2E)-2-[(5-bromo-1-benzofuran-2-yl)methylidene]-6-hydroxy-4-methyl-3-oxo-1-benzofuran-7-yl]methyl-dipropylazanium Traditional Name: [(2E)-2-[(5-bromobenzofuran-2-yl)methylene]-6-hydroxy-3-keto-4-methyl-coumaran-7-yl]methyl-dipropyl-ammonium Formula: C25H27BrNO4+ MolecularWeight: 485.39018

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CC1=C(C=C(C2=C1OC(=CC3=CC4=C(O3)C=CC(=C4)Br)C2=O)C)O

Isomeric SMILES

CCC[NH+](CCC)CC1=C(C=C(C2=C1O/C(=C/C3=CC4=C(O3)C=CC(=C4)Br)/C2=O)C)O

InChI

InChI=1S/C25H26BrNO4/c1-4-8-27(9-5-2)14-19-20(28)10-15(3)23-24(29)22(31-25(19)23)13-18-12-16-11-17(26)6-7-21(16)30-18/h6-7,10-13,28H,4-5,8-9,14H2,1-3H3/p+1/b22-13+