(1-methyl-1-azoniabicyclo[2.2.2]octan-2-yl)oxycarbonyl-phenyl-(phenylmethyl)azanium iodide

Systemtic Name: (1-methyl-1-azoniabicyclo[2.2.2]octan-2-yl)oxycarbonyl-phenyl-(phenylmethyl)azanium iodide Openeye Name: benzyl-(1-methylquinuclidin-1-ium-2-yl)oxycarbonyl-phenyl-ammonium iodide CAS Name: [(1-methyl-1-azoniabicyclo[2.2.2]octan-2-yl)oxy-oxomethyl]-phenyl-(phenylmethyl)ammonium iodide IUPAC Name: benzyl-[(1-methyl-1-azoniabicyclo[2.2.2]octan-2-yl)oxycarbonyl]-phenylazanium iodide Traditional Name: benzyl-(1-methylquinuclidin-1-ium-2-yl)oxycarbonyl-phenyl-ammonium iodide Formula: C22H28IN2O2+ MolecularWeight: 479.37439

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCC(CC1)CC2OC(=O)[NH+](CC3=CC=CC=C3)C4=CC=CC=C4.[I-]

Isomeric SMILES

C[N+]12CCC(CC1)CC2OC(=O)[NH+](CC3=CC=CC=C3)C4=CC=CC=C4.[I-]

InChI

InChI=1S/C22H27N2O2.HI/c1-24-14-12-18(13-15-24)16-21(24)26-22(25)23(20-10-6-3-7-11-20)17-19-8-4-2-5-9-19;/h2-11,18,21H,12-17H2,1H3;1H/q+1;