(8-butyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-oxidanyl-2,2-diphenyl-ethanoate

Systemtic Name: (8-butyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-oxidanyl-2,2-diphenyl-ethanoate Openeye Name: (8-butyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2,2-diphenyl-acetate CAS Name: 2-hydroxy-2,2-diphenylacetic acid (8-butyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester IUPAC Name: (8-butyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2,2-diphenylacetate Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid (8-butyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester Formula: C26H34NO3+ MolecularWeight: 408.55306

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C

Isomeric SMILES

CCCC[N+]1(C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C

InChI

InChI=1S/C26H34NO3/c1-3-4-17-27(2)22-15-16-23(27)19-24(18-22)30-25(28)26(29,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,22-24,29H,3-4,15-19H2,1-2H3/q+1