4-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-1,2,4-triazole-3-thiolate Openeye Name: 4-[(3R)-quinuclidin-1-ium-3-yl]-1,2,4-triazole-3-thiolate CAS Name: 4-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-1,2,4-triazole-3-thiolate Traditional Name: 4-[(3R)-quinuclidin-1-ium-3-yl]-1,2,4-triazole-3-thiolate Formula: C9H14N4S MolecularWeight: 210.29926

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2)N3C=NN=C3[S-]

Isomeric SMILES

C1C[NH+]2CCC1[C@H](C2)N3C=NN=C3[S-]

InChI

InChI=1S/C9H14N4S/c14-9-11-10-6-13(9)8-5-12-3-1-7(8)2-4-12/h6-8H,1-5H2,(H,11,14)/t8-/m0/s1