1-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]-3-(phenylmethyl)-1-azoniabicyclo[2.2.2]octane diiodide

Systemtic Name: 1-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]-3-(phenylmethyl)-1-azoniabicyclo[2.2.2]octane diiodide Openeye Name: 3-benzyl-1-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]quinuclidin-1-ium diiodide CAS Name: 1-[3-(1-methyl-1-pyrrolidin-1-iumyl)propyl]-3-(phenylmethyl)-1-azoniabicyclo[2.2.2]octane diiodide IUPAC Name: 3-benzyl-1-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]-1-azoniabicyclo[2.2.2]octane diiodide Traditional Name: 3-benzyl-1-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]quinuclidin-1-ium diiodide Formula: C22H36I2N2 MolecularWeight: 582.34358

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)CCC[N+]23CCC(CC2)C(C3)CC4=CC=CC=C4.[I-].[I-]

Isomeric SMILES

C[N+]1(CCCC1)CCC[N+]23CCC(CC2)C(C3)CC4=CC=CC=C4.[I-].[I-]

InChI

InChI=1S/C22H36N2.2HI/c1-23(12-5-6-13-23)14-7-15-24-16-10-21(11-17-24)22(19-24)18-20-8-3-2-4-9-20;;/h2-4,8-9,21-22H,5-7,10-19H2,1H3;2*1H/q+2;;/p-2