(2Z)-7-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-6-oxidanyl-2-(phenylmethylidene)-1-benzofuran-3-one

Systemtic Name: (2Z)-7-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-6-oxidanyl-2-(phenylmethylidene)-1-benzofuran-3-one Openeye Name: (2Z)-2-benzylidene-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]benzofuran-3-one CAS Name: (2Z)-6-hydroxy-7-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-2-(phenylmethylene)-3-benzofuranone IUPAC Name: (2Z)-2-benzylidene-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-1-benzofuran-3-one Traditional Name: (2Z)-2-benzal-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]coumaran-3-one Formula: C22H25N2O4+ MolecularWeight: 381.4449

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC3=C2OC(=CC4=CC=CC=C4)C3=O)O)CCO

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC3=C2O/C(=C\C4=CC=CC=C4)/C3=O)O)CCO

InChI

InChI=1S/C22H24N2O4/c25-13-12-23-8-10-24(11-9-23)15-18-19(26)7-6-17-21(27)20(28-22(17)18)14-16-4-2-1-3-5-16/h1-7,14,25-26H,8-13,15H2/p+1/b20-14-