8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-oxidanylidene-3-phenyl-chromen-7-olate

Systemtic Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-oxidanylidene-3-phenyl-chromen-7-olate Openeye Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-oxo-3-phenyl-chromen-7-olate CAS Name: 8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-2-oxo-3-phenyl-1-benzopyran-7-olate IUPAC Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-oxo-3-phenylchromen-7-olate Traditional Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-keto-3-phenyl-chromen-7-olate Formula: C22H24N2O4 MolecularWeight: 380.43696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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