1-(4-methylsulfonylphenyl)-2-quinolin-1-ium-1-yl-ethanone bromide

Systemtic Name: 1-(4-methylsulfonylphenyl)-2-quinolin-1-ium-1-yl-ethanone bromide Openeye Name: 1-(4-methylsulfonylphenyl)-2-quinolin-1-ium-1-yl-ethanone bromide CAS Name: 1-(4-methylsulfonylphenyl)-2-(1-quinolin-1-iumyl)ethanone bromide IUPAC Name: 1-(4-methylsulfonylphenyl)-2-quinolin-1-ium-1-ylethanone bromide Traditional Name: 1-(4-mesylphenyl)-2-quinolin-1-ium-1-yl-ethanone bromide Formula: C18H16BrNO3S MolecularWeight: 406.29354

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC3=CC=CC=C32.[Br-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC3=CC=CC=C32.[Br-]

InChI

InChI=1S/C18H16NO3S.BrH/c1-23(21,22)16-10-8-15(9-11-16)18(20)13-19-12-4-6-14-5-2-3-7-17(14)19;/h2-12H,13H2,1H3;1H/q+1;/p-1