[2-(1,3-benzodioxol-5-ylmethylidene)-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-diethyl-azanium

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylidene)-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-diethyl-azanium Openeye Name: [2-(1,3-benzodioxol-5-ylmethylene)-6-hydroxy-3-oxo-benzofuran-7-yl]methyl-diethyl-ammonium CAS Name: [2-(1,3-benzodioxol-5-ylmethylidene)-6-hydroxy-3-oxo-7-benzofuranyl]methyl-diethylammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylidene)-6-hydroxy-3-oxo-1-benzofuran-7-yl]methyl-diethylazanium Traditional Name: diethyl-[(6-hydroxy-3-keto-2-piperonylidene-coumaran-7-yl)methyl]ammonium Formula: C21H22NO5+ MolecularWeight: 368.40308

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C=CC2=C1OC(=CC3=CC4=C(C=C3)OCO4)C2=O)O

Isomeric SMILES

CC[NH+](CC)CC1=C(C=CC2=C1OC(=CC3=CC4=C(C=C3)OCO4)C2=O)O

InChI

InChI=1S/C21H21NO5/c1-3-22(4-2)11-15-16(23)7-6-14-20(24)19(27-21(14)15)10-13-5-8-17-18(9-13)26-12-25-17/h5-10,23H,3-4,11-12H2,1-2H3/p+1