(1-ethyl-1-azoniabicyclo[2.2.2]octan-2-yl)oxycarbonyl-(2-phenylphenyl)azanium iodide

Systemtic Name: (1-ethyl-1-azoniabicyclo[2.2.2]octan-2-yl)oxycarbonyl-(2-phenylphenyl)azanium iodide Openeye Name: (1-ethylquinuclidin-1-ium-2-yl)oxycarbonyl-(2-phenylphenyl)ammonium iodide CAS Name: [(1-ethyl-1-azoniabicyclo[2.2.2]octan-2-yl)oxy-oxomethyl]-(2-phenylphenyl)ammonium iodide IUPAC Name: (1-ethyl-1-azoniabicyclo[2.2.2]octan-2-yl)oxycarbonyl-(2-phenylphenyl)azanium iodide Traditional Name: (1-ethylquinuclidin-1-ium-2-yl)oxycarbonyl-(2-phenylphenyl)ammonium iodide Formula: C22H28IN2O2+ MolecularWeight: 479.37439

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]12CCC(CC1)CC2OC(=O)[NH2+]C3=CC=CC=C3C4=CC=CC=C4.[I-]

Isomeric SMILES

CC[N+]12CCC(CC1)CC2OC(=O)[NH2+]C3=CC=CC=C3C4=CC=CC=C4.[I-]

InChI

InChI=1S/C22H26N2O2.HI/c1-2-24-14-12-17(13-15-24)16-21(24)26-22(25)23-20-11-7-6-10-19(20)18-8-4-3-5-9-18;/h3-11,17,21H,2,12-16H2,1H3;1H/p+1