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

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylidene)-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-butyl-methyl-azanium Openeye Name: [2-(1,3-benzodioxol-5-ylmethylene)-6-hydroxy-3-oxo-benzofuran-7-yl]methyl-butyl-methyl-ammonium CAS Name: [2-(1,3-benzodioxol-5-ylmethylidene)-6-hydroxy-3-oxo-7-benzofuranyl]methyl-butyl-methylammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylidene)-6-hydroxy-3-oxo-1-benzofuran-7-yl]methyl-butyl-methylazanium Traditional Name: butyl-[(6-hydroxy-3-keto-2-piperonylidene-coumaran-7-yl)methyl]-methyl-ammonium Formula: C22H24NO5+ MolecularWeight: 382.42966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO5/c1-3-4-9-23(2)12-16-17(24)7-6-15-21(25)20(28-22(15)16)11-14-5-8-18-19(10-14)27-13-26-18/h5-8,10-11,24H,3-4,9,12-13H2,1-2H3/p+1