1-butyl-3-(phenylmethyl)-1-azoniabicyclo[2.2.2]octane bromide

Systemtic Name: 1-butyl-3-(phenylmethyl)-1-azoniabicyclo[2.2.2]octane bromide Openeye Name: 3-benzyl-1-butyl-quinuclidin-1-ium bromide CAS Name: 1-butyl-3-(phenylmethyl)-1-azoniabicyclo[2.2.2]octane bromide IUPAC Name: 3-benzyl-1-butyl-1-azoniabicyclo[2.2.2]octane bromide Traditional Name: 3-benzyl-1-butyl-quinuclidin-1-ium bromide Formula: C18H28BrN MolecularWeight: 338.32562

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]12CCC(CC1)C(C2)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

CCCC[N+]12CCC(CC1)C(C2)CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C18H28N.BrH/c1-2-3-11-19-12-9-17(10-13-19)18(15-19)14-16-7-5-4-6-8-16;/h4-8,17-18H,2-3,9-15H2,1H3;1H/q+1;/p-1