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

Systemtic Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-oxidanyl-1-benzofuran-3-one Openeye Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylene)-7-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-hydroxy-benzofuran-3-one CAS Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-6-hydroxy-3-benzofuranone IUPAC Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-hydroxy-1-benzofuran-3-one Traditional Name: (2Z)-7-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-hydroxy-2-piperonylidene-coumaran-3-one Formula: C23H26N2O5+2 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O5/c1-2-24-7-9-25(10-8-24)13-17-18(26)5-4-16-22(27)21(30-23(16)17)12-15-3-6-19-20(11-15)29-14-28-19/h3-6,11-12,26H,2,7-10,13-14H2,1H3/p+2/b21-12-