3-[(3R)-3-methoxy-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl]-1,1-dithiophen-2-yl-prop-2-yn-1-ol iodide

Systemtic Name: 3-[(3R)-3-methoxy-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl]-1,1-dithiophen-2-yl-prop-2-yn-1-ol iodide Openeye Name: 3-[(3R)-3-methoxy-1-methyl-quinuclidin-1-ium-3-yl]-1,1-bis(2-thienyl)prop-2-yn-1-ol iodide CAS Name: 3-[(3R)-3-methoxy-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl]-1,1-dithiophen-2-yl-2-propyn-1-ol iodide IUPAC Name: 3-[(3R)-3-methoxy-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl]-1,1-dithiophen-2-ylprop-2-yn-1-ol iodide Traditional Name: 3-[(3R)-3-methoxy-1-methyl-quinuclidin-1-ium-3-yl]-1,1-bis(2-thienyl)prop-2-yn-1-ol iodide Formula: C20H24INO2S2 MolecularWeight: 501.44453

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCC(CC1)C(C2)(C#CC(C3=CC=CS3)(C4=CC=CS4)O)OC.[I-]

Isomeric SMILES

C[N+]12CCC(CC1)[C@](C2)(C#CC(C3=CC=CS3)(C4=CC=CS4)O)OC.[I-]

InChI

InChI=1S/C20H24NO2S2.HI/c1-21-11-7-16(8-12-21)19(15-21,23-2)9-10-20(22,17-5-3-13-24-17)18-6-4-14-25-18;/h3-6,13-14,16,22H,7-8,11-12,15H2,1-2H3;1H/q+1;/p-1/t16?,19-,21?;/m1./s1