(2Z)-2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxidanylidene-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxidanylidene-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylene]-3-oxo-7-(piperidin-1-ium-1-ylmethyl)benzofuran-6-olate CAS Name: (2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxo-7-(1-piperidin-1-iumylmethyl)-6-benzofuranolate IUPAC Name: (2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxo-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Traditional Name: (2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylene]-3-keto-7-(piperidin-1-ium-1-ylmethyl)coumaran-6-olate Formula: C23H22ClNO5 MolecularWeight: 427.87748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClNO5/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/b20-10-