(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-(morpholin-4-ium-4-ylmethyl)-6-oxidanyl-1-benzofuran-3-one

Systemtic Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-(morpholin-4-ium-4-ylmethyl)-6-oxidanyl-1-benzofuran-3-one Openeye Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylene)-6-hydroxy-7-(morpholin-4-ium-4-ylmethyl)benzofuran-3-one CAS Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-6-hydroxy-7-(4-morpholin-4-iumylmethyl)-3-benzofuranone IUPAC Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-6-hydroxy-7-(morpholin-4-ium-4-ylmethyl)-1-benzofuran-3-one Traditional Name: (2Z)-6-hydroxy-7-(morpholin-4-ium-4-ylmethyl)-2-piperonylidene-coumaran-3-one Formula: C21H20NO6+ MolecularWeight: 382.3866

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=C(C=CC3=C2OC(=CC4=CC5=C(C=C4)OCO5)C3=O)O

Isomeric SMILES

C1COCC[NH+]1CC2=C(C=CC3=C2O/C(=C\C4=CC5=C(C=C4)OCO5)/C3=O)O

InChI

InChI=1S/C21H19NO6/c23-16-3-2-14-20(24)19(10-13-1-4-17-18(9-13)27-12-26-17)28-21(14)15(16)11-22-5-7-25-8-6-22/h1-4,9-10,23H,5-8,11-12H2/p+1/b19-10-