3-(phenylmethyl)-1-[[3-(phenylmethyl)-1-azoniabicyclo[2.2.2]octan-1-yl]methoxymethyl]-1-azoniabicyclo[2.2.2]octane dibromide

Systemtic Name: 3-(phenylmethyl)-1-[[3-(phenylmethyl)-1-azoniabicyclo[2.2.2]octan-1-yl]methoxymethyl]-1-azoniabicyclo[2.2.2]octane dibromide Openeye Name: 3-benzyl-1-[(3-benzylquinuclidin-1-ium-1-yl)methoxymethyl]quinuclidin-1-ium dibromide CAS Name: 3-(phenylmethyl)-1-[[3-(phenylmethyl)-1-azoniabicyclo[2.2.2]octan-1-yl]methoxymethyl]-1-azoniabicyclo[2.2.2]octane dibromide IUPAC Name: 3-benzyl-1-[(3-benzyl-1-azoniabicyclo[2.2.2]octan-1-yl)methoxymethyl]-1-azoniabicyclo[2.2.2]octane dibromide Traditional Name: 3-benzyl-1-[(3-benzylquinuclidin-1-ium-1-yl)methoxymethyl]quinuclidin-1-ium dibromide Formula: C30H42Br2N2O MolecularWeight: 606.47528

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1C(C2)CC3=CC=CC=C3)COC[N+]45CCC(CC4)C(C5)CC6=CC=CC=C6.[Br-].[Br-]

Isomeric SMILES

C1C[N+]2(CCC1C(C2)CC3=CC=CC=C3)COC[N+]45CCC(CC4)C(C5)CC6=CC=CC=C6.[Br-].[Br-]

InChI

InChI=1S/C30H42N2O.2BrH/c1-3-7-25(8-4-1)19-29-21-31(15-11-27(29)12-16-31)23-33-24-32-17-13-28(14-18-32)30(22-32)20-26-9-5-2-6-10-26;;/h1-10,27-30H,11-24H2;2*1H/q+2;;/p-2