2-[(1E)-1-ethylidene-2-(4-fluorophenyl)piperidin-1-ium-2-yl]sulfanylethanoic acid bromide

Systemtic Name: 2-[(1E)-1-ethylidene-2-(4-fluorophenyl)piperidin-1-ium-2-yl]sulfanylethanoic acid bromide Openeye Name: 2-[(1E)-1-ethylidene-2-(4-fluorophenyl)piperidin-1-ium-2-yl]sulfanylacetic acid bromide CAS Name: 2-[[(1E)-1-ethylidene-2-(4-fluorophenyl)-2-piperidin-1-iumyl]thio]acetic acid bromide IUPAC Name: 2-[(1E)-1-ethylidene-2-(4-fluorophenyl)piperidin-1-ium-2-yl]sulfanylacetic acid bromide Traditional Name: 2-[[(1E)-1-ethylidene-2-(4-fluorophenyl)piperidin-1-ium-2-yl]thio]acetic acid bromide Formula: C15H19BrFNO2S MolecularWeight: 376.284263

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Descriptors Computed from Structure

Canonical SMILES:

CC=[N+]1CCCCC1(C2=CC=C(C=C2)F)SCC(=O)O.[Br-]

Isomeric SMILES

C/C=[N+]/1\CCCCC1(C2=CC=C(C=C2)F)SCC(=O)O.[Br-]

InChI

InChI=1S/C15H18FNO2S.BrH/c1-2-17-10-4-3-9-15(17,20-11-14(18)19)12-5-7-13(16)8-6-12;/h2,5-8H,3-4,9-11H2,1H3;1H/b17-2+;