1-phenethyl-1-azoniabicyclo[2.2.2]octane bromide

Systemtic Name: 1-phenethyl-1-azoniabicyclo[2.2.2]octane bromide Openeye Name: 1-phenethylquinuclidin-1-ium bromide CAS Name: 1-phenethyl-1-azoniabicyclo[2.2.2]octane bromide IUPAC Name: 1-phenethyl-1-azoniabicyclo[2.2.2]octane bromide Traditional Name: 1-phenethylquinuclidin-1-ium bromide Formula: C15H22BrN MolecularWeight: 296.24588

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1CC2)CCC3=CC=CC=C3.[Br-]

Isomeric SMILES

C1C[N+]2(CCC1CC2)CCC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C15H22N.BrH/c1-2-4-14(5-3-1)6-10-16-11-7-15(8-12-16)9-13-16;/h1-5,15H,6-13H2;1H/q+1;/p-1