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

Systemtic Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-6-oxidanyl-1-benzofuran-3-one Openeye Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylene)-6-hydroxy-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzofuran-3-one CAS Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-6-hydroxy-7-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-3-benzofuranone IUPAC Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-6-hydroxy-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1-benzofuran-3-one Traditional Name: (2Z)-6-hydroxy-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-piperonylidene-coumaran-3-one Formula: C22H24N2O5+2 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=CC5=C(C=C4)OCO5)C3=O)O

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC2=C(C=CC3=C2O/C(=C\C4=CC5=C(C=C4)OCO5)/C3=O)O

InChI

InChI=1S/C22H22N2O5/c1-23-6-8-24(9-7-23)12-16-17(25)4-3-15-21(26)20(29-22(15)16)11-14-2-5-18-19(10-14)28-13-27-18/h2-5,10-11,25H,6-9,12-13H2,1H3/p+2/b20-11-