1-(4-nitrophenyl)-2-(3-oxidanyl-1-azoniabicyclo[2.2.2]octan-1-yl)ethanone iodide

Systemtic Name: 1-(4-nitrophenyl)-2-(3-oxidanyl-1-azoniabicyclo[2.2.2]octan-1-yl)ethanone iodide Openeye Name: 2-(3-hydroxyquinuclidin-1-ium-1-yl)-1-(4-nitrophenyl)ethanone iodide CAS Name: 2-(3-hydroxy-1-azoniabicyclo[2.2.2]octan-1-yl)-1-(4-nitrophenyl)ethanone iodide IUPAC Name: 2-(3-hydroxy-1-azoniabicyclo[2.2.2]octan-1-yl)-1-(4-nitrophenyl)ethanone iodide Traditional Name: 2-(3-hydroxyquinuclidin-1-ium-1-yl)-1-(4-nitrophenyl)ethanone iodide Formula: C15H19IN2O4 MolecularWeight: 418.22683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N2O4.HI/c18-14(11-1-3-13(4-2-11)16(20)21)9-17-7-5-12(6-8-17)15(19)10-17;/h1-4,12,15,19H,5-10H2;1H/q+1;/p-1