2-[(2,3-dimethoxyphenyl)methylidene]-7-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-oxidanyl-1-benzofuran-3-one

Systemtic Name: 2-[(2,3-dimethoxyphenyl)methylidene]-7-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-oxidanyl-1-benzofuran-3-one Openeye Name: 2-[(2,3-dimethoxyphenyl)methylene]-7-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-hydroxy-benzofuran-3-one CAS Name: 2-[(2,3-dimethoxyphenyl)methylidene]-7-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-6-hydroxy-3-benzofuranone IUPAC Name: 2-[(2,3-dimethoxyphenyl)methylidene]-7-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-hydroxy-1-benzofuran-3-one Traditional Name: 2-(2,3-dimethoxybenzylidene)-7-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-hydroxy-coumaran-3-one Formula: C24H30N2O5+2 MolecularWeight: 426.5054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O5/c1-4-25-10-12-26(13-11-25)15-18-19(27)9-8-17-22(28)21(31-24(17)18)14-16-6-5-7-20(29-2)23(16)30-3/h5-9,14,27H,4,10-13,15H2,1-3H3/p+2