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

Systemtic Name: 6-chloranyl-4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 6-chloro-4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-chloro-4-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-chloro-4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]coumarin Formula: C20H19ClFN2O2+ MolecularWeight: 373.828463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClFN2O2/c21-15-1-6-19-18(12-15)14(11-20(25)26-19)13-23-7-9-24(10-8-23)17-4-2-16(22)3-5-17/h1-6,11-12H,7-10,13H2/p+1