(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxidanylidene-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-[(2,5-dimethoxyphenyl)methylidene]-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(2,5-dimethoxyphenyl)methylene]-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-[(2,5-dimethoxyphenyl)methylidene]-7-[(4-methyl-1-piperazin-1-iumyl)methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-[(2,5-dimethoxyphenyl)methylidene]-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-(2,5-dimethoxybenzylidene)-3-keto-7-[(4-methylpiperazin-1-ium-1-yl)methyl]coumaran-6-olate Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=C(C=CC(=C4)OC)OC)C3=O)[O-]

Isomeric SMILES

CN1CC[NH+](CC1)CC2=C(C=CC3=C2O/C(=C\C4=C(C=CC(=C4)OC)OC)/C3=O)[O-]

InChI

InChI=1S/C23H26N2O5/c1-24-8-10-25(11-9-24)14-18-19(26)6-5-17-22(27)21(30-23(17)18)13-15-12-16(28-2)4-7-20(15)29-3/h4-7,12-13,26H,8-11,14H2,1-3H3/b21-13-