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

Systemtic Name: 3-phenyl-1-[(3-phenyl-1-azoniabicyclo[2.2.2]octan-1-yl)methoxymethyl]-1-azoniabicyclo[2.2.2]octane Openeye Name: 3-phenyl-1-[(3-phenylquinuclidin-1-ium-1-yl)methoxymethyl]quinuclidin-1-ium CAS Name: 3-phenyl-1-[(3-phenyl-1-azoniabicyclo[2.2.2]octan-1-yl)methoxymethyl]-1-azoniabicyclo[2.2.2]octane IUPAC Name: 3-phenyl-1-[(3-phenyl-1-azoniabicyclo[2.2.2]octan-1-yl)methoxymethyl]-1-azoniabicyclo[2.2.2]octane Traditional Name: 3-phenyl-1-[(3-phenylquinuclidin-1-ium-1-yl)methoxymethyl]quinuclidin-1-ium Formula: C28H38N2O+2 MolecularWeight: 418.61412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38N2O/c1-3-7-23(8-4-1)27-19-29(15-11-25(27)12-16-29)21-31-22-30-17-13-26(14-18-30)28(20-30)24-9-5-2-6-10-24/h1-10,25-28H,11-22H2/q+2