(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-3-oxidanylidene-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(3,4-dimethoxyphenyl)methylene]-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-7-[(4-methyl-1-piperidin-1-iumyl)methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-3-keto-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-veratrylidene-coumaran-6-olate Formula: C24H27NO5 MolecularWeight: 409.47488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=CC(=C(C=C4)OC)OC)C3=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)CC2=C(C=CC3=C2O/C(=C\C4=CC(=C(C=C4)OC)OC)/C3=O)[O-]

InChI

InChI=1S/C24H27NO5/c1-15-8-10-25(11-9-15)14-18-19(26)6-5-17-23(27)22(30-24(17)18)13-16-4-7-20(28-2)21(12-16)29-3/h4-7,12-13,15,26H,8-11,14H2,1-3H3/b22-13-