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

Systemtic Name: 2-[5-[(4-methylphenyl)methyl]-3,4-dihydro-2H-pyrrol-1-ium-1-yl]-1-(4-methylsulfanylphenyl)ethanone bromide Openeye Name: 1-(4-methylsulfanylphenyl)-2-[5-(p-tolylmethyl)-3,4-dihydro-2H-pyrrol-1-ium-1-yl]ethanone bromide CAS Name: 2-[5-[(4-methylphenyl)methyl]-3,4-dihydro-2H-pyrrol-1-ium-1-yl]-1-[4-(methylthio)phenyl]ethanone bromide IUPAC Name: 2-[5-[(4-methylphenyl)methyl]-3,4-dihydro-2H-pyrrol-1-ium-1-yl]-1-(4-methylsulfanylphenyl)ethanone bromide Traditional Name: 2-[2-(4-methylbenzyl)-1-pyrrolin-1-ium-1-yl]-1-[4-(methylthio)phenyl]ethanone bromide Formula: C21H24BrNOS MolecularWeight: 418.39036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24NOS.BrH/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;1H/q+1;/p-1