2-(3-chloranyl-4-fluoranyl-phenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanone

Systemtic Name: 2-(3-chloranyl-4-fluoranyl-phenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanone Openeye Name: 2-(3-chloro-4-fluoro-phenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanone CAS Name: 2-(3-chloro-4-fluorophenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanone IUPAC Name: 2-(3-chloro-4-fluorophenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanone Traditional Name: 2-(3-chloro-4-fluoro-phenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanone Formula: C14H19ClFN2O2+ MolecularWeight: 301.764263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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