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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=CC4=C(C(=CC=C4)OC)OC)C3=O)[O-]

Isomeric SMILES

CC1CCC[NH+](C1)CC2=C(C=CC3=C2O/C(=C\C4=C(C(=CC=C4)OC)OC)/C3=O)[O-]

InChI

InChI=1S/C24H27NO5/c1-15-6-5-11-25(13-15)14-18-19(26)10-9-17-22(27)21(30-24(17)18)12-16-7-4-8-20(28-2)23(16)29-3/h4,7-10,12,15,26H,5-6,11,13-14H2,1-3H3/b21-12-