2-[2-(4-fluorophenyl)-1-piperidin-1-ium-1-ylidene-ethyl]sulfanylethanoic acid bromide

Systemtic Name: 2-[2-(4-fluorophenyl)-1-piperidin-1-ium-1-ylidene-ethyl]sulfanylethanoic acid bromide Openeye Name: 2-[2-(4-fluorophenyl)-1-piperidin-1-ium-1-ylidene-ethyl]sulfanylacetic acid bromide CAS Name: 2-[[2-(4-fluorophenyl)-1-(1-piperidin-1-iumylidene)ethyl]thio]acetic acid bromide IUPAC Name: 2-[2-(4-fluorophenyl)-1-piperidin-1-ium-1-ylideneethyl]sulfanylacetic acid bromide Traditional Name: 2-[[2-(4-fluorophenyl)-1-piperidin-1-ium-1-ylidene-ethyl]thio]acetic acid bromide Formula: C15H19BrFNO2S MolecularWeight: 376.284263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](=C(CC2=CC=C(C=C2)F)SCC(=O)O)CC1.[Br-]

Isomeric SMILES

C1CC[N+](=C(CC2=CC=C(C=C2)F)SCC(=O)O)CC1.[Br-]

InChI

InChI=1S/C15H18FNO2S.BrH/c16-13-6-4-12(5-7-13)10-14(20-11-15(18)19)17-8-2-1-3-9-17;/h4-7H,1-3,8-11H2;1H