(2Z)-2-[(6-bromanyl-4H-1,3-benzodioxin-8-yl)methylidene]-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-6-oxidanyl-1-benzofuran-3-one

Systemtic Name: (2Z)-2-[(6-bromanyl-4H-1,3-benzodioxin-8-yl)methylidene]-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-6-oxidanyl-1-benzofuran-3-one Openeye Name: (2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-6-hydroxy-7-[(4-methylpiperidin-1-ium-1-yl)methyl]benzofuran-3-one CAS Name: (2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylidene]-6-hydroxy-7-[(4-methyl-1-piperidin-1-iumyl)methyl]-3-benzofuranone IUPAC Name: (2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylidene]-6-hydroxy-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-1-benzofuran-3-one Traditional Name: (2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-6-hydroxy-7-[(4-methylpiperidin-1-ium-1-yl)methyl]coumaran-3-one Formula: C24H25BrNO5+ MolecularWeight: 487.363

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=CC(=CC5=C4OCOC5)Br)C3=O)O

Isomeric SMILES

CC1CC[NH+](CC1)CC2=C(C=CC3=C2O/C(=C\C4=CC(=CC5=C4OCOC5)Br)/C3=O)O

InChI

InChI=1S/C24H24BrNO5/c1-14-4-6-26(7-5-14)11-19-20(27)3-2-18-22(28)21(31-24(18)19)10-15-8-17(25)9-16-12-29-13-30-23(15)16/h2-3,8-10,14,27H,4-7,11-13H2,1H3/p+1/b21-10-