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

Systemtic Name: 2-[(1E)-1-ethylidene-2-(4-fluorophenyl)piperidin-1-ium-2-yl]sulfanylethanoic acid Openeye Name: 2-[(1E)-1-ethylidene-2-(4-fluorophenyl)piperidin-1-ium-2-yl]sulfanylacetic acid CAS Name: 2-[[(1E)-1-ethylidene-2-(4-fluorophenyl)-2-piperidin-1-iumyl]thio]acetic acid IUPAC Name: 2-[(1E)-1-ethylidene-2-(4-fluorophenyl)piperidin-1-ium-2-yl]sulfanylacetic acid Traditional Name: 2-[[(1E)-1-ethylidene-2-(4-fluorophenyl)piperidin-1-ium-2-yl]thio]acetic acid Formula: C15H19FNO2S+ MolecularWeight: 296.380263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18FNO2S/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/p+1/b17-2+