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

Systemtic Name: (8-hexyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-oxidanyl-2,2-diphenyl-ethanoate Openeye Name: (8-hexyl-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-hexyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester IUPAC Name: (8-hexyl-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-hexyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester Formula: C28H38NO3+ MolecularWeight: 436.60622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38NO3/c1-3-4-5-12-19-29(2)24-17-18-25(29)21-26(20-24)32-27(30)28(31,22-13-8-6-9-14-22)23-15-10-7-11-16-23/h6-11,13-16,24-26,31H,3-5,12,17-21H2,1-2H3/q+1