2-(2-chloranyl-4-fluoranyl-phenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanone

Systemtic Name: 2-(2-chloranyl-4-fluoranyl-phenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanone Openeye Name: 2-(2-chloro-4-fluoro-phenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanone CAS Name: 2-(2-chloro-4-fluorophenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanone IUPAC Name: 2-(2-chloro-4-fluorophenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanone Traditional Name: 2-(2-chloro-4-fluoro-phenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanone Formula: C14H19ClFN2O2+ MolecularWeight: 301.764263

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)COC2=C(C=C(C=C2)F)Cl

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)COC2=C(C=C(C=C2)F)Cl

InChI

InChI=1S/C14H18ClFN2O2/c1-17-5-2-6-18(8-7-17)14(19)10-20-13-4-3-11(16)9-12(13)15/h3-4,9H,2,5-8,10H2,1H3/p+1