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

Systemtic Name: 4-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-5-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 5-phenyl-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-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-5-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 5-phenyl-4-[(3R)-quinuclidin-1-ium-3-yl]-1,2,4-triazole-3-thiolate Formula: C15H18N4S MolecularWeight: 286.39522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4S/c20-15-17-16-14(12-4-2-1-3-5-12)19(15)13-10-18-8-6-11(13)7-9-18/h1-5,11,13H,6-10H2,(H,17,20)/t13-/m0/s1