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

Systemtic Name: 4-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-[(3R)-quinuclidin-1-ium-3-yl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-[(3R)-quinuclidin-1-ium-3-yl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate Formula: C13H16N4S2 MolecularWeight: 292.42294

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2)N3C(=NN=C3[S-])C4=CC=CS4

Isomeric SMILES

C1C[NH+]2CCC1[C@H](C2)N3C(=NN=C3[S-])C4=CC=CS4

InChI

InChI=1S/C13H16N4S2/c18-13-15-14-12(11-2-1-7-19-11)17(13)10-8-16-5-3-9(10)4-6-16/h1-2,7,9-10H,3-6,8H2,(H,15,18)/t10-/m0/s1