8-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-7-oxidanyl-3-phenyl-chromen-4-one

Systemtic Name: 8-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-7-oxidanyl-3-phenyl-chromen-4-one Openeye Name: 7-hydroxy-8-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-3-phenyl-chromen-4-one CAS Name: 7-hydroxy-8-[[4-(2-hydroxyethyl)-1-piperazine-1,4-diiumyl]methyl]-3-phenyl-1-benzopyran-4-one IUPAC Name: 7-hydroxy-8-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-3-phenylchromen-4-one Traditional Name: 7-hydroxy-8-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-3-phenyl-chromone Formula: C22H26N2O4+2 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCO)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4)O

Isomeric SMILES

C1C[NH+](CC[NH+]1CCO)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4)O

InChI

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