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

Systemtic Name: (1-prop-2-ynyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-oxidanyl-2,2-diphenyl-ethanoate Openeye Name: (1-prop-2-ynylquinuclidin-1-ium-3-yl) 2-hydroxy-2,2-diphenyl-acetate CAS Name: 2-hydroxy-2,2-diphenylacetic acid (1-prop-2-ynyl-1-azoniabicyclo[2.2.2]octan-3-yl) ester IUPAC Name: (1-prop-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-propargylquinuclidin-1-ium-3-yl) ester Formula: C24H26NO3+ MolecularWeight: 376.46814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26NO3/c1-2-15-25-16-13-19(14-17-25)22(18-25)28-23(26)24(27,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h1,3-12,19,22,27H,13-18H2/q+1