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

Systemtic Name: (2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(2,3-dimethoxyphenyl)methylene]-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-7-[(4-ethyl-1-piperazin-1-iumyl)methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-(2,3-dimethoxybenzylidene)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-keto-coumaran-6-olate Formula: C24H28N2O5 MolecularWeight: 424.48952

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=C(C(=CC=C4)OC)OC)C3=O)[O-]

Isomeric SMILES

CCN1CC[NH+](CC1)CC2=C(C=CC3=C2O/C(=C\C4=C(C(=CC=C4)OC)OC)/C3=O)[O-]

InChI

InChI=1S/C24H28N2O5/c1-4-25-10-12-26(13-11-25)15-18-19(27)9-8-17-22(28)21(31-24(17)18)14-16-6-5-7-20(29-2)23(16)30-3/h5-9,14,27H,4,10-13,15H2,1-3H3/b21-14-