1-[3-(3-methylbut-2-enoxy)pentyl]-1-azoniabicyclo[2.2.2]octane bromide

Systemtic Name: 1-[3-(3-methylbut-2-enoxy)pentyl]-1-azoniabicyclo[2.2.2]octane bromide Openeye Name: 1-[3-(3-methylbut-2-enoxy)pentyl]quinuclidin-1-ium bromide CAS Name: 1-[3-(3-methylbut-2-enoxy)pentyl]-1-azoniabicyclo[2.2.2]octane bromide IUPAC Name: 1-[3-(3-methylbut-2-enoxy)pentyl]-1-azoniabicyclo[2.2.2]octane bromide Traditional Name: 1-[3-(3-methylbut-2-enoxy)pentyl]quinuclidin-1-ium bromide Formula: C17H32BrNO MolecularWeight: 346.34608

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC[N+]12CCC(CC1)CC2)OCC=C(C)C.[Br-]

Isomeric SMILES

CCC(CC[N+]12CCC(CC1)CC2)OCC=C(C)C.[Br-]

InChI

InChI=1S/C17H32NO.BrH/c1-4-17(19-14-9-15(2)3)8-13-18-10-5-16(6-11-18)7-12-18;/h9,16-17H,4-8,10-14H2,1-3H3;1H/q+1;/p-1