2-(azepan-1-ium-1-yl)-1-(4-fluorophenyl)ethanone chloride

Systemtic Name: 2-(azepan-1-ium-1-yl)-1-(4-fluorophenyl)ethanone chloride Openeye Name: 2-(azepan-1-ium-1-yl)-1-(4-fluorophenyl)ethanone chloride CAS Name: 2-(1-azepan-1-iumyl)-1-(4-fluorophenyl)ethanone chloride IUPAC Name: 2-(azepan-1-ium-1-yl)-1-(4-fluorophenyl)ethanone chloride Traditional Name: 2-(azepan-1-ium-1-yl)-1-(4-fluorophenyl)ethanone chloride Formula: C14H19ClFNO MolecularWeight: 271.758163

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)C2=CC=C(C=C2)F.[Cl-]

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)C2=CC=C(C=C2)F.[Cl-]

InChI

InChI=1S/C14H18FNO.ClH/c15-13-7-5-12(6-8-13)14(17)11-16-9-3-1-2-4-10-16;/h5-8H,1-4,9-11H2;1H