3-chloranyl-1-azoniabicyclo[2.2.2]octane chloride hydrate

Systemtic Name: 3-chloranyl-1-azoniabicyclo[2.2.2]octane chloride hydrate Openeye Name: 3-chloroquinuclidin-1-ium chloride hydrate CAS Name: 3-chloro-1-azoniabicyclo[2.2.2]octane chloride hydrate IUPAC Name: 3-chloro-1-azoniabicyclo[2.2.2]octane chloride hydrate Traditional Name: 3-chloroquinuclidin-1-ium chloride hydrate Formula: C7H15Cl2NO MolecularWeight: 200.1061

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2)Cl.O.[Cl-]

Isomeric SMILES

C1C[NH+]2CCC1C(C2)Cl.O.[Cl-]

InChI

InChI=1S/C7H12ClN.ClH.H2O/c8-7-5-9-3-1-6(7)2-4-9;;/h6-7H,1-5H2;1H;1H2