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

Systemtic Name: (2Z)-2-[(6-bromanyl-4H-1,3-benzodioxin-8-yl)methylidene]-6-oxidanyl-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Openeye Name: (2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-6-hydroxy-7-(piperidin-1-ium-1-ylmethyl)benzofuran-3-one CAS Name: (2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylidene]-6-hydroxy-7-(1-piperidin-1-iumylmethyl)-3-benzofuranone IUPAC Name: (2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylidene]-6-hydroxy-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Traditional Name: (2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-6-hydroxy-7-(piperidin-1-ium-1-ylmethyl)coumaran-3-one Formula: C23H23BrNO5+ MolecularWeight: 473.33642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=CC(=CC5=C4OCOC5)Br)C3=O)O

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(C=CC3=C2O/C(=C\C4=CC(=CC5=C4OCOC5)Br)/C3=O)O

InChI

InChI=1S/C23H22BrNO5/c24-16-8-14(22-15(9-16)12-28-13-29-22)10-20-21(27)17-4-5-19(26)18(23(17)30-20)11-25-6-2-1-3-7-25/h4-5,8-10,26H,1-3,6-7,11-13H2/p+1/b20-10-