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

Systemtic Name: 4-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-5-ethyl-1,2,4-triazole-3-thiolate Openeye Name: 5-ethyl-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-ethyl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-5-ethyl-1,2,4-triazole-3-thiolate Traditional Name: 5-ethyl-4-[(3R)-quinuclidin-1-ium-3-yl]-1,2,4-triazole-3-thiolate Formula: C11H18N4S MolecularWeight: 238.35242

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2C[NH+]3CCC2CC3)[S-]

Isomeric SMILES

CCC1=NN=C(N1[C@H]2C[NH+]3CCC2CC3)[S-]

InChI

InChI=1S/C11H18N4S/c1-2-10-12-13-11(16)15(10)9-7-14-5-3-8(9)4-6-14/h8-9H,2-7H2,1H3,(H,13,16)/t9-/m0/s1