[(3R)-1-methyl-1-[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl]pyrrolidin-1-ium-3-yl] 2-oxidanyl-2,2-diphenyl-ethanoate bromide

Systemtic Name: [(3R)-1-methyl-1-[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl]pyrrolidin-1-ium-3-yl] 2-oxidanyl-2,2-diphenyl-ethanoate bromide Openeye Name: [(3R)-1-[2-(isoxazol-3-ylamino)-2-oxo-ethyl]-1-methyl-pyrrolidin-1-ium-3-yl] 2-hydroxy-2,2-diphenyl-acetate bromide CAS Name: 2-hydroxy-2,2-diphenylacetic acid [(3R)-1-[2-(3-isoxazolylamino)-2-oxoethyl]-1-methyl-3-pyrrolidin-1-iumyl] ester bromide IUPAC Name: [(3R)-1-methyl-1-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]pyrrolidin-1-ium-3-yl] 2-hydroxy-2,2-diphenylacetate bromide Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid [(3R)-1-[2-(isoxazol-3-ylamino)-2-keto-ethyl]-1-methyl-pyrrolidin-1-ium-3-yl] ester bromide Formula: C24H26BrN3O5 MolecularWeight: 516.38434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC(=O)NC4=NOC=C4.[Br-]

Isomeric SMILES

C[N+]1(CC[C@H](C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC(=O)NC4=NOC=C4.[Br-]

InChI

InChI=1S/C24H25N3O5.BrH/c1-27(17-22(28)25-21-13-15-31-26-21)14-12-20(16-27)32-23(29)24(30,18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2-11,13,15,20,30H,12,14,16-17H2,1H3;1H/t20-,27?;/m1./s1