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

Systemtic Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-7-oxidanyl-3-phenyl-chromen-2-one Openeye Name: 7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-chromen-2-one CAS Name: 7-hydroxy-8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-3-phenyl-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-phenylchromen-2-one Traditional Name: 7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-coumarin Formula: C22H25N2O4+ MolecularWeight: 381.4449

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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/p+1