4-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-5-cyclopropyl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-5-cyclopropyl-1,2,4-triazole-3-thiolate Openeye Name: 5-cyclopropyl-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]-5-cyclopropyl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-5-cyclopropyl-1,2,4-triazole-3-thiolate Traditional Name: 5-cyclopropyl-4-[(3R)-quinuclidin-1-ium-3-yl]-1,2,4-triazole-3-thiolate Formula: C12H18N4S MolecularWeight: 250.36312

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3C[NH+]4CCC3CC4)[S-]

Isomeric SMILES

C1CC1C2=NN=C(N2[C@H]3C[NH+]4CCC3CC4)[S-]

InChI

InChI=1S/C12H18N4S/c17-12-14-13-11(9-1-2-9)16(12)10-7-15-5-3-8(10)4-6-15/h8-10H,1-7H2,(H,14,17)/t10-/m0/s1