(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) N-phenyl-N-(phenylmethyl)carbamate iodide

Systemtic Name: (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) N-phenyl-N-(phenylmethyl)carbamate iodide Openeye Name: (1-methylquinuclidin-1-ium-3-yl) N-benzyl-N-phenyl-carbamate iodide CAS Name: N-phenyl-N-(phenylmethyl)carbamic acid (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) ester iodide IUPAC Name: (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) N-benzyl-N-phenylcarbamate iodide Traditional Name: N-benzyl-N-phenyl-carbamic acid (1-methylquinuclidin-1-ium-3-yl) ester iodide Formula: C22H27IN2O2 MolecularWeight: 478.36645

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCC(CC1)C(C2)OC(=O)N(CC3=CC=CC=C3)C4=CC=CC=C4.[I-]

Isomeric SMILES

C[N+]12CCC(CC1)C(C2)OC(=O)N(CC3=CC=CC=C3)C4=CC=CC=C4.[I-]

InChI

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