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

Systemtic Name: [(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-bis(2-methoxyethyl)azanium Openeye Name: [(2Z)-2-(1,3-benzodioxol-5-ylmethylene)-6-hydroxy-3-oxo-benzofuran-7-yl]methyl-bis(2-methoxyethyl)ammonium CAS Name: [(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-6-hydroxy-3-oxo-7-benzofuranyl]methyl-bis(2-methoxyethyl)ammonium IUPAC Name: [(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-6-hydroxy-3-oxo-1-benzofuran-7-yl]methyl-bis(2-methoxyethyl)azanium Traditional Name: [(2Z)-6-hydroxy-3-keto-2-piperonylidene-coumaran-7-yl]methyl-bis(2-methoxyethyl)ammonium Formula: C23H26NO7+ MolecularWeight: 428.45504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COCC[NH+](CCOC)CC1=C(C=CC2=C1O/C(=C\C3=CC4=C(C=C3)OCO4)/C2=O)O

InChI

InChI=1S/C23H25NO7/c1-27-9-7-24(8-10-28-2)13-17-18(25)5-4-16-22(26)21(31-23(16)17)12-15-3-6-19-20(11-15)30-14-29-19/h3-6,11-12,25H,7-10,13-14H2,1-2H3/p+1/b21-12-