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

Systemtic Name: (2Z)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-[(4-methoxycarbonylphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-[(4-methoxycarbonylphenyl)methylene]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-[(4-ethyl-1-piperazin-1-iumyl)methyl]-2-[(4-methoxycarbonylphenyl)methylidene]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-[(4-methoxycarbonylphenyl)methylidene]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-(4-carbomethoxybenzylidene)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-keto-coumaran-6-olate Formula: C24H26N2O5 MolecularWeight: 422.47364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O5/c1-3-25-10-12-26(13-11-25)15-19-20(27)9-8-18-22(28)21(31-23(18)19)14-16-4-6-17(7-5-16)24(29)30-2/h4-9,14,27H,3,10-13,15H2,1-2H3/b21-14-