[(3R)-1-methyl-1-[2-oxidanylidene-2-(pyrimidin-4-ylamino)ethyl]pyrrolidin-1-ium-3-yl] 2-oxidanyl-2,2-diphenyl-ethanoate

Systemtic Name: [(3R)-1-methyl-1-[2-oxidanylidene-2-(pyrimidin-4-ylamino)ethyl]pyrrolidin-1-ium-3-yl] 2-oxidanyl-2,2-diphenyl-ethanoate Openeye Name: [(3R)-1-methyl-1-[2-oxo-2-(pyrimidin-4-ylamino)ethyl]pyrrolidin-1-ium-3-yl] 2-hydroxy-2,2-diphenyl-acetate CAS Name: 2-hydroxy-2,2-diphenylacetic acid [(3R)-1-methyl-1-[2-oxo-2-(4-pyrimidinylamino)ethyl]-3-pyrrolidin-1-iumyl] ester IUPAC Name: [(3R)-1-methyl-1-[2-oxo-2-(pyrimidin-4-ylamino)ethyl]pyrrolidin-1-ium-3-yl] 2-hydroxy-2,2-diphenylacetate Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid [(3R)-1-[2-keto-2-(4-pyrimidylamino)ethyl]-1-methyl-pyrrolidin-1-ium-3-yl] ester Formula: C25H27N4O4+ MolecularWeight: 447.50628

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=NC=NC=C4

Isomeric SMILES

C[N+]1(CC[C@H](C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC(=O)NC4=NC=NC=C4

InChI

InChI=1S/C25H26N4O4/c1-29(17-23(30)28-22-12-14-26-18-27-22)15-13-21(16-29)33-24(31)25(32,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-12,14,18,21,32H,13,15-17H2,1H3/p+1/t21-,29?/m1/s1