2-(1,3-benzodioxol-5-ylmethylidene)-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-6-oxidanyl-1-benzofuran-3-one

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylidene)-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-6-oxidanyl-1-benzofuran-3-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethylene)-6-hydroxy-7-[(4-methylpiperidin-1-ium-1-yl)methyl]benzofuran-3-one CAS Name: 2-(1,3-benzodioxol-5-ylmethylidene)-6-hydroxy-7-[(4-methyl-1-piperidin-1-iumyl)methyl]-3-benzofuranone IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylidene)-6-hydroxy-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-1-benzofuran-3-one Traditional Name: 6-hydroxy-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-piperonylidene-coumaran-3-one Formula: C23H24NO5+ MolecularWeight: 394.44036

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=CC5=C(C=C4)OCO5)C3=O)O

Isomeric SMILES

CC1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=CC5=C(C=C4)OCO5)C3=O)O

InChI

InChI=1S/C23H23NO5/c1-14-6-8-24(9-7-14)12-17-18(25)4-3-16-22(26)21(29-23(16)17)11-15-2-5-19-20(10-15)28-13-27-19/h2-5,10-11,14,25H,6-9,12-13H2,1H3/p+1