2-[1-(cyclopropylmethyl)pyridin-1-ium-4-yl]-1-(4-fluorophenyl)ethanone bromide

Systemtic Name: 2-[1-(cyclopropylmethyl)pyridin-1-ium-4-yl]-1-(4-fluorophenyl)ethanone bromide Openeye Name: 2-[1-(cyclopropylmethyl)pyridin-1-ium-4-yl]-1-(4-fluorophenyl)ethanone bromide CAS Name: 2-[1-(cyclopropylmethyl)-4-pyridin-1-iumyl]-1-(4-fluorophenyl)ethanone bromide IUPAC Name: 2-[1-(cyclopropylmethyl)pyridin-1-ium-4-yl]-1-(4-fluorophenyl)ethanone bromide Traditional Name: 2-[1-(cyclopropylmethyl)pyridin-1-ium-4-yl]-1-(4-fluorophenyl)ethanone bromide Formula: C17H17BrFNO MolecularWeight: 350.225383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C[N+]2=CC=C(C=C2)CC(=O)C3=CC=C(C=C3)F.[Br-]

Isomeric SMILES

C1CC1C[N+]2=CC=C(C=C2)CC(=O)C3=CC=C(C=C3)F.[Br-]

InChI

InChI=1S/C17H17FNO.BrH/c18-16-5-3-15(4-6-16)17(20)11-13-7-9-19(10-8-13)12-14-1-2-14;/h3-10,14H,1-2,11-12H2;1H/q+1;/p-1