methyl 3-(6-chloranylpyrazin-2-yl)-1-azabicyclo[2.2.2]octane-3-carboxylate

Systemtic Name: methyl 3-(6-chloranylpyrazin-2-yl)-1-azabicyclo[2.2.2]octane-3-carboxylate Openeye Name: methyl 3-(6-chloropyrazin-2-yl)quinuclidine-3-carboxylate CAS Name: 3-(6-chloro-2-pyrazinyl)-1-azabicyclo[2.2.2]octane-3-carboxylic acid methyl ester IUPAC Name: methyl 3-(6-chloropyrazin-2-yl)-1-azabicyclo[2.2.2]octane-3-carboxylate Traditional Name: 3-(6-chloropyrazin-2-yl)quinuclidine-3-carboxylic acid methyl ester Formula: C13H16ClN3O2 MolecularWeight: 281.73804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CN2CCC1CC2)C3=CN=CC(=N3)Cl

Isomeric SMILES

COC(=O)C1(CN2CCC1CC2)C3=CN=CC(=N3)Cl

InChI

InChI=1S/C13H16ClN3O2/c1-19-12(18)13(10-6-15-7-11(14)16-10)8-17-4-2-9(13)3-5-17/h6-7,9H,2-5,8H2,1H3