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

Systemtic Name: 1-(4-nitrophenyl)-2-(3-oxidanyl-1-azoniabicyclo[2.2.2]octan-1-yl)ethanone Openeye Name: 2-(3-hydroxyquinuclidin-1-ium-1-yl)-1-(4-nitrophenyl)ethanone CAS Name: 2-(3-hydroxy-1-azoniabicyclo[2.2.2]octan-1-yl)-1-(4-nitrophenyl)ethanone IUPAC Name: 2-(3-hydroxy-1-azoniabicyclo[2.2.2]octan-1-yl)-1-(4-nitrophenyl)ethanone Traditional Name: 2-(3-hydroxyquinuclidin-1-ium-1-yl)-1-(4-nitrophenyl)ethanone Formula: C15H19N2O4+ MolecularWeight: 291.32236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N2O4/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/q+1