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

Systemtic Name: 1-cycloheptyl-3-[(3R)-3-methoxy-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl]-1-phenyl-prop-2-yn-1-ol iodide Openeye Name: 1-cycloheptyl-3-[(3R)-3-methoxy-1-methyl-quinuclidin-1-ium-3-yl]-1-phenyl-prop-2-yn-1-ol iodide CAS Name: 1-cycloheptyl-3-[(3R)-3-methoxy-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl]-1-phenyl-2-propyn-1-ol iodide IUPAC Name: 1-cycloheptyl-3-[(3R)-3-methoxy-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl]-1-phenylprop-2-yn-1-ol iodide Traditional Name: 1-cycloheptyl-3-[(3R)-3-methoxy-1-methyl-quinuclidin-1-ium-3-yl]-1-phenyl-prop-2-yn-1-ol iodide Formula: C25H36INO2 MolecularWeight: 509.46331

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCC(CC1)C(C2)(C#CC(C3CCCCCC3)(C4=CC=CC=C4)O)OC.[I-]

Isomeric SMILES

C[N+]12CCC(CC1)[C@](C2)(C#CC(C3CCCCCC3)(C4=CC=CC=C4)O)OC.[I-]

InChI

InChI=1S/C25H36NO2.HI/c1-26-18-14-21(15-19-26)24(20-26,28-2)16-17-25(27,23-12-8-5-9-13-23)22-10-6-3-4-7-11-22;/h5,8-9,12-13,21-22,27H,3-4,6-7,10-11,14-15,18-20H2,1-2H3;1H/q+1;/p-1/t21?,24-,25?,26?;/m1./s1