1-cyclohexyl-2-[[(3R)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl]oxy]-2-oxidanylidene-1-phenyl-ethanolate

Systemtic Name: 1-cyclohexyl-2-[[(3R)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl]oxy]-2-oxidanylidene-1-phenyl-ethanolate Openeye Name: 1-cyclohexyl-2-[(3R)-1-methylquinuclidin-1-ium-3-yl]oxy-2-oxo-1-phenyl-ethanolate CAS Name: 1-cyclohexyl-2-[[(3R)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl]oxy]-2-oxo-1-phenylethanolate IUPAC Name: 1-cyclohexyl-2-[[(3R)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl]oxy]-2-oxo-1-phenylethanolate Traditional Name: 1-cyclohexyl-2-keto-2-[(3R)-1-methylquinuclidin-1-ium-3-yl]oxy-1-phenyl-ethanolate Formula: C22H31NO3 MolecularWeight: 357.48644

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCC(CC1)C(C2)OC(=O)C(C3CCCCC3)(C4=CC=CC=C4)[O-]

Isomeric SMILES

C[N+]12CCC(CC1)[C@H](C2)OC(=O)C(C3CCCCC3)(C4=CC=CC=C4)[O-]

InChI

InChI=1S/C22H31NO3/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2,4-5,8-9,17,19-20H,3,6-7,10-16H2,1H3/t17?,20-,22?,23?/m0/s1