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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=C(C=CC3=C2OC(=CC4=C(C(=CC=C4)OC)OC)C3=O)[O-]

Isomeric SMILES

CC1CCCC[NH+]1CC2=C(C=CC3=C2O/C(=C\C4=C(C(=CC=C4)OC)OC)/C3=O)[O-]

InChI

InChI=1S/C24H27NO5/c1-15-7-4-5-12-25(15)14-18-19(26)11-10-17-22(27)21(30-24(17)18)13-16-8-6-9-20(28-2)23(16)29-3/h6,8-11,13,15,26H,4-5,7,12,14H2,1-3H3/b21-13-