2-[(2,3-dimethoxyphenyl)methylidene]-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-6-oxidanyl-1-benzofuran-3-one

Systemtic Name: 2-[(2,3-dimethoxyphenyl)methylidene]-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-6-oxidanyl-1-benzofuran-3-one Openeye Name: 2-[(2,3-dimethoxyphenyl)methylene]-6-hydroxy-7-[(4-methylpiperidin-1-ium-1-yl)methyl]benzofuran-3-one CAS Name: 2-[(2,3-dimethoxyphenyl)methylidene]-6-hydroxy-7-[(4-methyl-1-piperidin-1-iumyl)methyl]-3-benzofuranone IUPAC Name: 2-[(2,3-dimethoxyphenyl)methylidene]-6-hydroxy-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-1-benzofuran-3-one Traditional Name: 2-(2,3-dimethoxybenzylidene)-6-hydroxy-7-[(4-methylpiperidin-1-ium-1-yl)methyl]coumaran-3-one Formula: C24H28NO5+ MolecularWeight: 410.48282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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