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

Systemtic Name: 2-[(2,3-dimethoxyphenyl)methylidene]-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-6-oxidanyl-1-benzofuran-3-one Openeye Name: 2-[(2,3-dimethoxyphenyl)methylene]-6-hydroxy-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzofuran-3-one CAS Name: 2-[(2,3-dimethoxyphenyl)methylidene]-6-hydroxy-7-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-3-benzofuranone IUPAC Name: 2-[(2,3-dimethoxyphenyl)methylidene]-6-hydroxy-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1-benzofuran-3-one Traditional Name: 2-(2,3-dimethoxybenzylidene)-6-hydroxy-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]coumaran-3-one Formula: C23H28N2O5+2 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=C(C(=CC=C4)OC)OC)C3=O)O

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=C(C(=CC=C4)OC)OC)C3=O)O

InChI

InChI=1S/C23H26N2O5/c1-24-9-11-25(12-10-24)14-17-18(26)8-7-16-21(27)20(30-23(16)17)13-15-5-4-6-19(28-2)22(15)29-3/h4-8,13,26H,9-12,14H2,1-3H3/p+2