4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-oxidanylidene-7-phenyl-chromen-6-olate

Systemtic Name: 4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-oxidanylidene-7-phenyl-chromen-6-olate Openeye Name: 4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-oxo-7-phenyl-chromen-6-olate CAS Name: 4-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-2-oxo-7-phenyl-1-benzopyran-6-olate IUPAC Name: 4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-oxo-7-phenylchromen-6-olate Traditional Name: 4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-keto-7-phenyl-chromen-6-olate Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)OC3=CC(=C(C=C23)[O-])C4=CC=CC=C4)CCO

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)OC3=CC(=C(C=C23)[O-])C4=CC=CC=C4)CCO

InChI

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