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

Systemtic Name: 4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-6-oxidanyl-7-phenyl-chromen-2-one Openeye Name: 6-hydroxy-4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-7-phenyl-chromen-2-one CAS Name: 6-hydroxy-4-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-7-phenyl-1-benzopyran-2-one IUPAC Name: 6-hydroxy-4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-7-phenylchromen-2-one Traditional Name: 6-hydroxy-4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-7-phenyl-coumarin Formula: C22H25N2O4+ MolecularWeight: 381.4449

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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/p+1