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

Systemtic Name: 4-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-hydroxy-4-[[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7-hydroxy-4-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]coumarin Formula: C20H21N2O4+ MolecularWeight: 353.39174

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)OC3=C2C=CC(=C3)O)C4=CC=CC=C4O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)OC3=C2C=CC(=C3)O)C4=CC=CC=C4O

InChI

InChI=1S/C20H20N2O4/c23-15-5-6-16-14(11-20(25)26-19(16)12-15)13-21-7-9-22(10-8-21)17-3-1-2-4-18(17)24/h1-6,11-12,23-24H,7-10,13H2/p+1