(1-hex-2-ynyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-oxidanyl-2,2-diphenyl-ethanoate

Systemtic Name: (1-hex-2-ynyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-oxidanyl-2,2-diphenyl-ethanoate Openeye Name: (1-hex-2-ynylquinuclidin-1-ium-3-yl) 2-hydroxy-2,2-diphenyl-acetate CAS Name: 2-hydroxy-2,2-diphenylacetic acid (1-hex-2-ynyl-1-azoniabicyclo[2.2.2]octan-3-yl) ester IUPAC Name: (1-hex-2-ynyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2,2-diphenylacetate Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid (1-hex-2-ynylquinuclidin-1-ium-3-yl) ester Formula: C27H32NO3+ MolecularWeight: 418.54788

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC[N+]12CCC(CC1)C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

Isomeric SMILES

CCCC#CC[N+]12CCC(CC1)C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

InChI

InChI=1S/C27H32NO3/c1-2-3-4-11-18-28-19-16-22(17-20-28)25(21-28)31-26(29)27(30,23-12-7-5-8-13-23)24-14-9-6-10-15-24/h5-10,12-15,22,25,30H,2-3,16-21H2,1H3/q+1