2-(2-chloranyl-4-fluoranyl-phenoxy)-1-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(2-chloranyl-4-fluoranyl-phenoxy)-1-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(2-chloro-4-fluoro-phenoxy)-1-[4-(2-furylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(2-chloro-4-fluorophenoxy)-1-[4-(2-furanylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(2-chloro-4-fluorophenoxy)-1-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(2-chloro-4-fluoro-phenoxy)-1-[4-(2-furfuryl)piperazin-4-ium-1-yl]ethanone Formula: C17H19ClFN2O3+ MolecularWeight: 353.795763

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CO2)C(=O)COC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CO2)C(=O)COC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C17H18ClFN2O3/c18-15-10-13(19)3-4-16(15)24-12-17(22)21-7-5-20(6-8-21)11-14-2-1-9-23-14/h1-4,9-10H,5-8,11-12H2/p+1