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

Systemtic Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxidanylidene-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Openeye Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylene)-3-oxo-7-(piperidin-1-ium-1-ylmethyl)benzofuran-6-olate CAS Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-7-(1-piperidin-1-iumylmethyl)-6-benzofuranolate IUPAC Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Traditional Name: (2Z)-3-keto-7-(piperidin-1-ium-1-ylmethyl)-2-piperonylidene-coumaran-6-olate Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=CC5=C(C=C4)OCO5)C3=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(C=CC3=C2O/C(=C\C4=CC5=C(C=C4)OCO5)/C3=O)[O-]

InChI

InChI=1S/C22H21NO5/c24-17-6-5-15-21(25)20(11-14-4-7-18-19(10-14)27-13-26-18)28-22(15)16(17)12-23-8-2-1-3-9-23/h4-7,10-11,24H,1-3,8-9,12-13H2/b20-11-