[1-(2-benzamidoethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2,2-diphenyl-ethanoate

Systemtic Name: [1-(2-benzamidoethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2,2-diphenyl-ethanoate Openeye Name: [1-(2-benzamidoethyl)quinuclidin-1-ium-3-yl] 2-hydroxy-2,2-diphenyl-acetate CAS Name: 2-hydroxy-2,2-diphenylacetic acid [1-(2-benzamidoethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [1-(2-benzamidoethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-diphenylacetate Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid [1-(2-benzamidoethyl)quinuclidin-1-ium-3-yl] ester Formula: C30H33N2O4+ MolecularWeight: 485.59402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCNC(=O)C5=CC=CC=C5

Isomeric SMILES

C1C[N+]2(CCC1C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCNC(=O)C5=CC=CC=C5

InChI

InChI=1S/C30H32N2O4/c33-28(24-10-4-1-5-11-24)31-18-21-32-19-16-23(17-20-32)27(22-32)36-29(34)30(35,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,23,27,35H,16-22H2/p+1