2-[2-(4-fluorophenyl)sulfanylethyl]pyridin-1-ium

Systemtic Name: 2-[2-(4-fluorophenyl)sulfanylethyl]pyridin-1-ium Openeye Name: 2-[2-(4-fluorophenyl)sulfanylethyl]pyridin-1-ium CAS Name: 2-[2-[(4-fluorophenyl)thio]ethyl]pyridin-1-ium IUPAC Name: 2-[2-(4-fluorophenyl)sulfanylethyl]pyridin-1-ium Traditional Name: 2-[2-[(4-fluorophenyl)thio]ethyl]pyridin-1-ium Formula: C13H13FNS+ MolecularWeight: 234.312423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C(=C1)CCSC2=CC=C(C=C2)F

Isomeric SMILES

C1=CC=[NH+]C(=C1)CCSC2=CC=C(C=C2)F

InChI

InChI=1S/C13H12FNS/c14-11-4-6-13(7-5-11)16-10-8-12-3-1-2-9-15-12/h1-7,9H,8,10H2/p+1