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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=CC(=CC5=C4OCOC5)Br)C3=O)O

Isomeric SMILES

C1CCC[NH+](CC1)CC2=C(C=CC3=C2O/C(=C\C4=CC(=CC5=C4OCOC5)Br)/C3=O)O

InChI

InChI=1S/C24H24BrNO5/c25-17-9-15(23-16(10-17)13-29-14-30-23)11-21-22(28)18-5-6-20(27)19(24(18)31-21)12-26-7-3-1-2-4-8-26/h5-6,9-11,27H,1-4,7-8,12-14H2/p+1/b21-11-