(1-phenethyl-1-azoniabicyclo[2.2.2]octan-3-yl) 9H-xanthene-9-carboxylate

Systemtic Name: (1-phenethyl-1-azoniabicyclo[2.2.2]octan-3-yl) 9H-xanthene-9-carboxylate Openeye Name: (1-phenethylquinuclidin-1-ium-3-yl) 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid (1-phenethyl-1-azoniabicyclo[2.2.2]octan-3-yl) ester IUPAC Name: (1-phenethyl-1-azoniabicyclo[2.2.2]octan-3-yl) 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid (1-phenethylquinuclidin-1-ium-3-yl) ester Formula: C29H30NO3+ MolecularWeight: 440.5534

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1C(C2)OC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)CCC6=CC=CC=C6

Isomeric SMILES

C1C[N+]2(CCC1C(C2)OC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)CCC6=CC=CC=C6

InChI

InChI=1S/C29H30NO3/c31-29(28-23-10-4-6-12-25(23)32-26-13-7-5-11-24(26)28)33-27-20-30(18-15-22(27)16-19-30)17-14-21-8-2-1-3-9-21/h1-13,22,27-28H,14-20H2/q+1