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

Systemtic Name: 2-[5-[(4-methylphenyl)methyl]-3,4-dihydro-2H-pyrrol-1-ium-1-yl]-1-(4-methylsulfanylphenyl)ethanone Openeye Name: 1-(4-methylsulfanylphenyl)-2-[5-(p-tolylmethyl)-3,4-dihydro-2H-pyrrol-1-ium-1-yl]ethanone CAS Name: 2-[5-[(4-methylphenyl)methyl]-3,4-dihydro-2H-pyrrol-1-ium-1-yl]-1-[4-(methylthio)phenyl]ethanone IUPAC Name: 2-[5-[(4-methylphenyl)methyl]-3,4-dihydro-2H-pyrrol-1-ium-1-yl]-1-(4-methylsulfanylphenyl)ethanone Traditional Name: 2-[2-(4-methylbenzyl)-1-pyrrolin-1-ium-1-yl]-1-[4-(methylthio)phenyl]ethanone Formula: C21H24NOS+ MolecularWeight: 338.48636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=[N+](CCC2)CC(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC1=CC=C(C=C1)CC2=[N+](CCC2)CC(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C21H24NOS/c1-16-5-7-17(8-6-16)14-19-4-3-13-22(19)15-21(23)18-9-11-20(24-2)12-10-18/h5-12H,3-4,13-15H2,1-2H3/q+1