1-methyl-3-morpholin-4-ium-4-yl-1-azoniabicyclo[2.2.2]octane-3-carbonitrile

Systemtic Name: 1-methyl-3-morpholin-4-ium-4-yl-1-azoniabicyclo[2.2.2]octane-3-carbonitrile Openeye Name: 1-methyl-3-morpholin-4-ium-4-yl-quinuclidin-1-ium-3-carbonitrile CAS Name: 1-methyl-3-(4-morpholin-4-iumyl)-1-azoniabicyclo[2.2.2]octane-3-carbonitrile IUPAC Name: 1-methyl-3-morpholin-4-ium-4-yl-1-azoniabicyclo[2.2.2]octane-3-carbonitrile Traditional Name: 1-methyl-3-morpholin-4-ium-4-yl-quinuclidin-1-ium-3-carbonitrile Formula: C13H23N3O+2 MolecularWeight: 237.34122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCC(CC1)C(C2)(C#N)[NH+]3CCOCC3

Isomeric SMILES

C[N+]12CCC(CC1)C(C2)(C#N)[NH+]3CCOCC3

InChI

InChI=1S/C13H22N3O/c1-16-6-2-12(3-7-16)13(10-14,11-16)15-4-8-17-9-5-15/h12H,2-9,11H2,1H3/q+1/p+1