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

Systemtic Name: (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(3,4-dimethoxyphenyl)methylene]-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-7-[(4-ethyl-1-piperazin-1-iumyl)methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-keto-2-veratrylidene-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=CC(=C(C=C4)OC)OC)C3=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O5/c1-4-25-9-11-26(12-10-25)15-18-19(27)7-6-17-23(28)22(31-24(17)18)14-16-5-8-20(29-2)21(13-16)30-3/h5-8,13-14,27H,4,9-12,15H2,1-3H3/b22-14-