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

Systemtic Name: (1-pent-2-ynyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-oxidanyl-2,2-diphenyl-ethanoate Openeye Name: (1-pent-2-ynylquinuclidin-1-ium-3-yl) 2-hydroxy-2,2-diphenyl-acetate CAS Name: 2-hydroxy-2,2-diphenylacetic acid (1-pent-2-ynyl-1-azoniabicyclo[2.2.2]octan-3-yl) ester IUPAC Name: (1-pent-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-pent-2-ynylquinuclidin-1-ium-3-yl) ester Formula: C26H30NO3+ MolecularWeight: 404.5213

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30NO3/c1-2-3-10-17-27-18-15-21(16-19-27)24(20-27)30-25(28)26(29,22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-9,11-14,21,24,29H,2,15-20H2,1H3/q+1