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

Systemtic Name: (8-methyl-8-octyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-oxidanyl-2,2-diphenyl-ethanoate Openeye Name: (8-methyl-8-octyl-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-octyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester IUPAC Name: (8-methyl-8-octyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2,2-diphenylacetate Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid (8-methyl-8-octyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester Formula: C30H42NO3+ MolecularWeight: 464.65938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H42NO3/c1-3-4-5-6-7-14-21-31(2)26-19-20-27(31)23-28(22-26)34-29(32)30(33,24-15-10-8-11-16-24)25-17-12-9-13-18-25/h8-13,15-18,26-28,33H,3-7,14,19-23H2,1-2H3/q+1