(3S)-1-methyl-3-morpholin-4-yl-1-azoniabicyclo[2.2.2]octane-3-carbonitrile

Systemtic Name: (3S)-1-methyl-3-morpholin-4-yl-1-azoniabicyclo[2.2.2]octane-3-carbonitrile Openeye Name: (3S)-1-methyl-3-morpholino-quinuclidin-1-ium-3-carbonitrile CAS Name: (3S)-1-methyl-3-(4-morpholinyl)-1-azoniabicyclo[2.2.2]octane-3-carbonitrile IUPAC Name: (3S)-1-methyl-3-morpholin-4-yl-1-azoniabicyclo[2.2.2]octane-3-carbonitrile Traditional Name: (3S)-1-methyl-3-morpholino-quinuclidin-1-ium-3-carbonitrile Formula: C13H22N3O+ MolecularWeight: 236.33328

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCC(CC1)C(C2)(C#N)N3CCOCC3

Isomeric SMILES

C[N+]12CCC(CC1)[C@](C2)(C#N)N3CCOCC3

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/t12?,13-,16?/m1/s1