4-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-6,7-bis(oxidanyl)chromen-2-one

Systemtic Name: 4-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-6,7-bis(oxidanyl)chromen-2-one Openeye Name: 6,7-dihydroxy-4-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6,7-dihydroxy-4-[[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dihydroxy-4-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6,7-dihydroxy-4-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]coumarin Formula: C20H21N2O5+ MolecularWeight: 369.39114

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)OC3=CC(=C(C=C23)O)O)C4=CC=CC=C4O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)OC3=CC(=C(C=C23)O)O)C4=CC=CC=C4O

InChI

InChI=1S/C20H20N2O5/c23-16-4-2-1-3-15(16)22-7-5-21(6-8-22)12-13-9-20(26)27-19-11-18(25)17(24)10-14(13)19/h1-4,9-11,23-25H,5-8,12H2/p+1