(2Z)-7-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-2-[(5-methylfuran-2-yl)methylidene]-6-oxidanyl-1-benzofuran-3-one

Systemtic Name: (2Z)-7-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-2-[(5-methylfuran-2-yl)methylidene]-6-oxidanyl-1-benzofuran-3-one Openeye Name: (2Z)-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-2-[(5-methyl-2-furyl)methylene]benzofuran-3-one CAS Name: (2Z)-6-hydroxy-7-[[4-(2-hydroxyethyl)-1-piperazine-1,4-diiumyl]methyl]-2-[(5-methyl-2-furanyl)methylidene]-3-benzofuranone IUPAC Name: (2Z)-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-2-[(5-methylfuran-2-yl)methylidene]-1-benzofuran-3-one Traditional Name: (2Z)-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-2-[(5-methyl-2-furyl)methylene]coumaran-3-one Formula: C21H26N2O5+2 MolecularWeight: 386.44154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+]4CC[NH+](CC4)CCO

Isomeric SMILES

CC1=CC=C(O1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+]4CC[NH+](CC4)CCO

InChI

InChI=1S/C21H24N2O5/c1-14-2-3-15(27-14)12-19-20(26)16-4-5-18(25)17(21(16)28-19)13-23-8-6-22(7-9-23)10-11-24/h2-5,12,24-25H,6-11,13H2,1H3/p+2/b19-12-