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

Systemtic Name: 4-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-5-propan-2-yl-1,2,4-triazole-3-thiolate Openeye Name: 5-isopropyl-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-propan-2-yl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-5-propan-2-yl-1,2,4-triazole-3-thiolate Traditional Name: 5-isopropyl-4-[(3R)-quinuclidin-1-ium-3-yl]-1,2,4-triazole-3-thiolate Formula: C12H20N4S MolecularWeight: 252.379

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C2C[NH+]3CCC2CC3)[S-]

Isomeric SMILES

CC(C)C1=NN=C(N1[C@H]2C[NH+]3CCC2CC3)[S-]

InChI

InChI=1S/C12H20N4S/c1-8(2)11-13-14-12(17)16(11)10-7-15-5-3-9(10)4-6-15/h8-10H,3-7H2,1-2H3,(H,14,17)/t10-/m0/s1