1-(4-nitrophenyl)-2-(3-thiophen-2-ylcarbonyl-1-azoniabicyclo[2.2.2]octan-1-yl)ethanone bromide

Systemtic Name: 1-(4-nitrophenyl)-2-(3-thiophen-2-ylcarbonyl-1-azoniabicyclo[2.2.2]octan-1-yl)ethanone bromide Openeye Name: 1-(4-nitrophenyl)-2-[3-(thiophene-2-carbonyl)quinuclidin-1-ium-1-yl]ethanone bromide CAS Name: 1-(4-nitrophenyl)-2-[3-[oxo(thiophen-2-yl)methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]ethanone bromide IUPAC Name: 1-(4-nitrophenyl)-2-[3-(thiophene-2-carbonyl)-1-azoniabicyclo[2.2.2]octan-1-yl]ethanone bromide Traditional Name: 1-(4-nitrophenyl)-2-[3-(2-thenoyl)quinuclidin-1-ium-1-yl]ethanone bromide Formula: C20H21BrN2O4S MolecularWeight: 465.36074

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1C(C2)C(=O)C3=CC=CS3)CC(=O)C4=CC=C(C=C4)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1C[N+]2(CCC1C(C2)C(=O)C3=CC=CS3)CC(=O)C4=CC=C(C=C4)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C20H21N2O4S.BrH/c23-18(15-3-5-16(6-4-15)21(25)26)13-22-9-7-14(8-10-22)17(12-22)20(24)19-2-1-11-27-19;/h1-6,11,14,17H,7-10,12-13H2;1H/q+1;/p-1