(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxidanylidene-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxidanylidene-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Openeye Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylene)-3-oxo-7-(pyrrolidin-1-ium-1-ylmethyl)benzofuran-6-olate CAS Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-7-(1-pyrrolidin-1-iumylmethyl)-6-benzofuranolate IUPAC Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Traditional Name: (2Z)-3-keto-2-piperonylidene-7-(pyrrolidin-1-ium-1-ylmethyl)coumaran-6-olate Formula: C21H19NO5 MolecularWeight: 365.37926

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=C(C=CC3=C2OC(=CC4=CC5=C(C=C4)OCO5)C3=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=C(C=CC3=C2O/C(=C\C4=CC5=C(C=C4)OCO5)/C3=O)[O-]

InChI

InChI=1S/C21H19NO5/c23-16-5-4-14-20(24)19(10-13-3-6-17-18(9-13)26-12-25-17)27-21(14)15(16)11-22-7-1-2-8-22/h3-6,9-10,23H,1-2,7-8,11-12H2/b19-10-