(1-phenethyl-1-azoniabicyclo[2.2.2]octan-2-yl) 2,2-bis(4-methylphenyl)-2-oxidanyl-ethanoate

Systemtic Name: (1-phenethyl-1-azoniabicyclo[2.2.2]octan-2-yl) 2,2-bis(4-methylphenyl)-2-oxidanyl-ethanoate Openeye Name: (1-phenethylquinuclidin-1-ium-2-yl) 2-hydroxy-2,2-bis(p-tolyl)acetate CAS Name: 2-hydroxy-2,2-bis(4-methylphenyl)acetic acid (1-phenethyl-1-azoniabicyclo[2.2.2]octan-2-yl) ester IUPAC Name: (1-phenethyl-1-azoniabicyclo[2.2.2]octan-2-yl) 2-hydroxy-2,2-bis(4-methylphenyl)acetate Traditional Name: 2-hydroxy-2,2-bis(p-tolyl)acetic acid (1-phenethylquinuclidin-1-ium-2-yl) ester Formula: C31H36NO3+ MolecularWeight: 470.62244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)(C(=O)OC3CC4CC[N+]3(CC4)CCC5=CC=CC=C5)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)(C(=O)OC3CC4CC[N+]3(CC4)CCC5=CC=CC=C5)O

InChI

InChI=1S/C31H36NO3/c1-23-8-12-27(13-9-23)31(34,28-14-10-24(2)11-15-28)30(33)35-29-22-26-17-20-32(29,21-18-26)19-16-25-6-4-3-5-7-25/h3-15,26,29,34H,16-22H2,1-2H3/q+1