1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazol-3-ium-3-yl]ethanone

Systemtic Name: 1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazol-3-ium-3-yl]ethanone Openeye Name: 1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazol-3-ium-3-yl]ethanone CAS Name: 1-[2-[(4-fluorophenyl)methylthio]-4,5-dihydro-1H-imidazol-3-ium-3-yl]ethanone IUPAC Name: 1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazol-3-ium-3-yl]ethanone Traditional Name: 1-[2-[(4-fluorobenzyl)thio]-2-imidazolin-1-ium-1-yl]ethanone Formula: C12H14FN2OS+ MolecularWeight: 253.315763

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[N+]1=C(NCC1)SCC2=CC=C(C=C2)F

Isomeric SMILES

CC(=O)[N+]1=C(NCC1)SCC2=CC=C(C=C2)F

InChI

InChI=1S/C12H13FN2OS/c1-9(16)15-7-6-14-12(15)17-8-10-2-4-11(13)5-3-10/h2-5H,6-8H2,1H3/p+1