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

Systemtic Name: [8-methyl-8-(phenylmethyl)-8-azoniabicyclo[3.2.1]octan-3-yl] 2-oxidanyl-2,2-diphenyl-ethanoate Openeye Name: (8-benzyl-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-methyl-8-(phenylmethyl)-8-azoniabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: (8-benzyl-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-benzyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester Formula: C29H32NO3+ MolecularWeight: 442.56928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CC5=CC=CC=C5

Isomeric SMILES

C[N+]1(C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CC5=CC=CC=C5

InChI

InChI=1S/C29H32NO3/c1-30(21-22-11-5-2-6-12-22)25-17-18-26(30)20-27(19-25)33-28(31)29(32,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-16,25-27,32H,17-21H2,1H3/q+1