2-[5-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrrol-1-ium-1-yl]-1-(4-methylsulfanylphenyl)ethanone

Systemtic Name: 2-[5-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrrol-1-ium-1-yl]-1-(4-methylsulfanylphenyl)ethanone Openeye Name: 2-[5-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrrol-1-ium-1-yl]-1-(4-methylsulfanylphenyl)ethanone CAS Name: 2-[5-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrrol-1-ium-1-yl]-1-[4-(methylthio)phenyl]ethanone IUPAC Name: 2-[5-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrrol-1-ium-1-yl]-1-(4-methylsulfanylphenyl)ethanone Traditional Name: 2-[2-(4-fluorobenzyl)-1-pyrrolin-1-ium-1-yl]-1-[4-(methylthio)phenyl]ethanone Formula: C20H21FNOS+ MolecularWeight: 342.450243

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)C[N+]2=C(CCC2)CC3=CC=C(C=C3)F

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)C[N+]2=C(CCC2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C20H21FNOS/c1-24-19-10-6-16(7-11-19)20(23)14-22-12-2-3-18(22)13-15-4-8-17(21)9-5-15/h4-11H,2-3,12-14H2,1H3/q+1