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

Systemtic Name: 1-(4-methylsulfonylphenyl)-2-[5-(phenylmethyl)-3,4-dihydro-2H-pyrrol-1-ium-1-yl]ethanone bromide Openeye Name: 2-(5-benzyl-3,4-dihydro-2H-pyrrol-1-ium-1-yl)-1-(4-methylsulfonylphenyl)ethanone bromide CAS Name: 1-(4-methylsulfonylphenyl)-2-[5-(phenylmethyl)-3,4-dihydro-2H-pyrrol-1-ium-1-yl]ethanone bromide IUPAC Name: 2-(5-benzyl-3,4-dihydro-2H-pyrrol-1-ium-1-yl)-1-(4-methylsulfonylphenyl)ethanone bromide Traditional Name: 2-(2-benzyl-1-pyrrolin-1-ium-1-yl)-1-(4-mesylphenyl)ethanone bromide Formula: C20H22BrNO3S MolecularWeight: 436.36258

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)C[N+]2=C(CCC2)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)C[N+]2=C(CCC2)CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C20H22NO3S.BrH/c1-25(23,24)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;1H/q+1;/p-1