2-(naphthalen-1-ylmethyl)-1-(phenylmethyl)-1-azoniabicyclo[2.2.2]octane bromide

Systemtic Name: 2-(naphthalen-1-ylmethyl)-1-(phenylmethyl)-1-azoniabicyclo[2.2.2]octane bromide Openeye Name: 1-benzyl-2-(1-naphthylmethyl)quinuclidin-1-ium bromide CAS Name: 2-(1-naphthalenylmethyl)-1-(phenylmethyl)-1-azoniabicyclo[2.2.2]octane bromide IUPAC Name: 1-benzyl-2-(naphthalen-1-ylmethyl)-1-azoniabicyclo[2.2.2]octane bromide Traditional Name: 1-benzyl-2-(1-naphthylmethyl)quinuclidin-1-ium bromide Formula: C25H28BrN MolecularWeight: 422.40052

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1CC2CC3=CC=CC4=CC=CC=C43)CC5=CC=CC=C5.[Br-]

Isomeric SMILES

C1C[N+]2(CCC1CC2CC3=CC=CC4=CC=CC=C43)CC5=CC=CC=C5.[Br-]

InChI

InChI=1S/C25H28N.BrH/c1-2-7-21(8-3-1)19-26-15-13-20(14-16-26)17-24(26)18-23-11-6-10-22-9-4-5-12-25(22)23;/h1-12,20,24H,13-19H2;1H/q+1;/p-1