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

Systemtic Name: (2Z)-2-(1-benzofuran-2-ylmethylidene)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-(benzofuran-2-ylmethylene)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-(2-benzofuranylmethylidene)-7-[(4-ethyl-1-piperazin-1-iumyl)methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-(1-benzofuran-2-ylmethylidene)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-(benzofuran-2-ylmethylene)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-keto-coumaran-6-olate Formula: C24H24N2O4 MolecularWeight: 404.45836

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=CC5=CC=CC=C5O4)C3=O)[O-]

Isomeric SMILES

CCN1CC[NH+](CC1)CC2=C(C=CC3=C2O/C(=C\C4=CC5=CC=CC=C5O4)/C3=O)[O-]

InChI

InChI=1S/C24H24N2O4/c1-2-25-9-11-26(12-10-25)15-19-20(27)8-7-18-23(28)22(30-24(18)19)14-17-13-16-5-3-4-6-21(16)29-17/h3-8,13-14,27H,2,9-12,15H2,1H3/b22-14-