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

Systemtic Name: 1-(4-methylsulfanylphenyl)-2-[5-(phenylmethyl)-3,4-dihydro-2H-pyrrol-1-ium-1-yl]ethanone Openeye Name: 2-(5-benzyl-3,4-dihydro-2H-pyrrol-1-ium-1-yl)-1-(4-methylsulfanylphenyl)ethanone CAS Name: 1-[4-(methylthio)phenyl]-2-[5-(phenylmethyl)-3,4-dihydro-2H-pyrrol-1-ium-1-yl]ethanone IUPAC Name: 2-(5-benzyl-3,4-dihydro-2H-pyrrol-1-ium-1-yl)-1-(4-methylsulfanylphenyl)ethanone Traditional Name: 2-(2-benzyl-1-pyrrolin-1-ium-1-yl)-1-[4-(methylthio)phenyl]ethanone Formula: C20H22NOS+ MolecularWeight: 324.45978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22NOS/c1-23-19-11-9-17(10-12-19)20(22)15-21-13-5-8-18(21)14-16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13-15H2,1H3/q+1