1-azoniabicyclo[2.2.2]octan-3-yl N-(1-adamantyl)carbamate chloride

Systemtic Name: 1-azoniabicyclo[2.2.2]octan-3-yl N-(1-adamantyl)carbamate chloride Openeye Name: quinuclidin-1-ium-3-yl N-(1-adamantyl)carbamate chloride CAS Name: N-(1-adamantyl)carbamic acid 1-azoniabicyclo[2.2.2]octan-3-yl ester chloride IUPAC Name: 1-azoniabicyclo[2.2.2]octan-3-yl N-(1-adamantyl)carbamate chloride Traditional Name: N-(1-adamantyl)carbamic acid quinuclidin-1-ium-3-yl ester chloride Formula: C18H29ClN2O2 MolecularWeight: 340.88806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2)OC(=O)NC34CC5CC(C3)CC(C5)C4.[Cl-]

Isomeric SMILES

C1C[NH+]2CCC1C(C2)OC(=O)NC34CC5CC(C3)CC(C5)C4.[Cl-]

InChI

InChI=1S/C18H28N2O2.ClH/c21-17(22-16-11-20-3-1-15(16)2-4-20)19-18-8-12-5-13(9-18)7-14(6-12)10-18;/h12-16H,1-11H2,(H,19,21);1H