(1-phenethyl-1-azoniabicyclo[2.2.2]octan-2-yl) 9,10-dihydroanthracene-9-carboxylate

Systemtic Name: (1-phenethyl-1-azoniabicyclo[2.2.2]octan-2-yl) 9,10-dihydroanthracene-9-carboxylate Openeye Name: (1-phenethylquinuclidin-1-ium-2-yl) 9,10-dihydroanthracene-9-carboxylate CAS Name: 9,10-dihydroanthracene-9-carboxylic acid (1-phenethyl-1-azoniabicyclo[2.2.2]octan-2-yl) ester IUPAC Name: (1-phenethyl-1-azoniabicyclo[2.2.2]octan-2-yl) 9,10-dihydroanthracene-9-carboxylate Traditional Name: 9,10-dihydroanthracene-9-carboxylic acid (1-phenethylquinuclidin-1-ium-2-yl) ester Formula: C30H32NO2+ MolecularWeight: 438.58058

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1CC2OC(=O)C3C4=CC=CC=C4CC5=CC=CC=C35)CCC6=CC=CC=C6

Isomeric SMILES

C1C[N+]2(CCC1CC2OC(=O)C3C4=CC=CC=C4CC5=CC=CC=C35)CCC6=CC=CC=C6

InChI

InChI=1S/C30H32NO2/c32-30(29-26-12-6-4-10-24(26)21-25-11-5-7-13-27(25)29)33-28-20-23-15-18-31(28,19-16-23)17-14-22-8-2-1-3-9-22/h1-13,23,28-29H,14-21H2/q+1