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

Systemtic Name: 1-methyl-3-(phenylmethyl)-1-azoniabicyclo[2.2.2]octane bromide Openeye Name: 3-benzyl-1-methyl-quinuclidin-1-ium bromide CAS Name: 1-methyl-3-(phenylmethyl)-1-azoniabicyclo[2.2.2]octane bromide IUPAC Name: 3-benzyl-1-methyl-1-azoniabicyclo[2.2.2]octane bromide Traditional Name: 3-benzyl-1-methyl-quinuclidin-1-ium bromide Formula: C15H22BrN MolecularWeight: 296.24588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N.BrH/c1-16-9-7-14(8-10-16)15(12-16)11-13-5-3-2-4-6-13;/h2-6,14-15H,7-12H2,1H3;1H/q+1;/p-1