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

Systemtic Name: (2Z)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-(furan-2-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-(2-furylmethylene)-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-[(4-ethyl-1-piperazin-1-iumyl)methyl]-2-(2-furanylmethylidene)-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-(furan-2-ylmethylidene)-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-(2-furfurylidene)-3-keto-coumaran-6-olate Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=CC=CO4)C3=O)[O-]

Isomeric SMILES

CCN1CC[NH+](CC1)CC2=C(C=CC3=C2O/C(=C\C4=CC=CO4)/C3=O)[O-]

InChI

InChI=1S/C20H22N2O4/c1-2-21-7-9-22(10-8-21)13-16-17(23)6-5-15-19(24)18(26-20(15)16)12-14-4-3-11-25-14/h3-6,11-12,23H,2,7-10,13H2,1H3/b18-12-