8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-7-oxidanyl-4-(2-oxidanylidenechromen-3-yl)chromen-2-one

Systemtic Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-7-oxidanyl-4-(2-oxidanylidenechromen-3-yl)chromen-2-one Openeye Name: 7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-(2-oxochromen-3-yl)chromen-2-one CAS Name: 7-hydroxy-8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-4-(2-oxo-1-benzopyran-3-yl)-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-(2-oxochromen-3-yl)chromen-2-one Traditional Name: 7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-(2-ketochromen-3-yl)coumarin Formula: C25H25N2O6+ MolecularWeight: 449.4758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC3=C2OC(=O)C=C3C4=CC5=CC=CC=C5OC4=O)O)CCO

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC3=C2OC(=O)C=C3C4=CC5=CC=CC=C5OC4=O)O)CCO

InChI

InChI=1S/C25H24N2O6/c28-12-11-26-7-9-27(10-8-26)15-20-21(29)6-5-17-18(14-23(30)33-24(17)20)19-13-16-3-1-2-4-22(16)32-25(19)31/h1-6,13-14,28-29H,7-12,15H2/p+1