2-[1-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]imidazol-2-yl]sulfanylethanoate

Systemtic Name: 2-[1-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]imidazol-2-yl]sulfanylethanoate Openeye Name: 2-[1-[(3R)-quinuclidin-1-ium-3-yl]imidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-2-imidazolyl]thio]acetate IUPAC Name: 2-[1-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]imidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-[(3R)-quinuclidin-1-ium-3-yl]imidazol-2-yl]thio]acetate Formula: C12H17N3O2S MolecularWeight: 267.34728

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2)N3C=CN=C3SCC(=O)[O-]

Isomeric SMILES

C1C[NH+]2CCC1[C@H](C2)N3C=CN=C3SCC(=O)[O-]

InChI

InChI=1S/C12H17N3O2S/c16-11(17)8-18-12-13-3-6-15(12)10-7-14-4-1-9(10)2-5-14/h3,6,9-10H,1-2,4-5,7-8H2,(H,16,17)/t10-/m0/s1