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

Systemtic Name: 6-chloranyl-4-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-chloro-7-hydroxy-4-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-chloro-7-hydroxy-4-[[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-hydroxy-4-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-chloro-7-hydroxy-4-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]coumarin Formula: C20H20ClN2O4+ MolecularWeight: 387.8368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O4/c21-15-10-14-13(9-20(26)27-19(14)11-18(15)25)12-22-5-7-23(8-6-22)16-3-1-2-4-17(16)24/h1-4,9-11,24-25H,5-8,12H2/p+1