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

Systemtic Name: 6-chloranyl-4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-chloro-4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-7-hydroxy-chromen-2-one CAS Name: 6-chloro-4-[[4-(2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-7-hydroxychromen-2-one Traditional Name: 6-chloro-4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-7-hydroxy-coumarin Formula: C20H19ClFN2O3+ MolecularWeight: 389.827863

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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=C4F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)OC3=CC(=C(C=C23)Cl)O)C4=CC=CC=C4F

InChI

InChI=1S/C20H18ClFN2O3/c21-15-10-14-13(9-20(26)27-19(14)11-18(15)25)12-23-5-7-24(8-6-23)17-4-2-1-3-16(17)22/h1-4,9-11,25H,5-8,12H2/p+1