1-benzofuran-2-yl-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: 1-benzofuran-2-yl-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: benzofuran-2-yl-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: 2-benzofuranyl-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: 1-benzofuran-2-yl-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: benzofuran-2-yl-[4-(2-chloro-6-fluoro-benzyl)piperazin-4-ium-1-yl]methanone Formula: C20H19ClFN2O2+ MolecularWeight: 373.828463

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)C(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)C(=O)C3=CC4=CC=CC=C4O3

InChI

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