[(3R)-1-methyl-1-[2-oxidanylidene-2-(pyrimidin-4-ylamino)ethyl]pyrrolidin-1-ium-3-yl] 9-oxidanylfluorene-9-carboxylate

Systemtic Name: [(3R)-1-methyl-1-[2-oxidanylidene-2-(pyrimidin-4-ylamino)ethyl]pyrrolidin-1-ium-3-yl] 9-oxidanylfluorene-9-carboxylate Openeye Name: [(3R)-1-methyl-1-[2-oxo-2-(pyrimidin-4-ylamino)ethyl]pyrrolidin-1-ium-3-yl] 9-hydroxyfluorene-9-carboxylate CAS Name: 9-hydroxy-9-fluorenecarboxylic 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] 9-hydroxyfluorene-9-carboxylate Traditional Name: 9-hydroxyfluorene-9-carboxylic acid [(3R)-1-[2-keto-2-(4-pyrimidylamino)ethyl]-1-methyl-pyrrolidin-1-ium-3-yl] ester Formula: C25H25N4O4+ MolecularWeight: 445.4904

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)OC(=O)C2(C3=CC=CC=C3C4=CC=CC=C42)O)CC(=O)NC5=NC=NC=C5

Isomeric SMILES

C[N+]1(CC[C@H](C1)OC(=O)C2(C3=CC=CC=C3C4=CC=CC=C42)O)CC(=O)NC5=NC=NC=C5

InChI

InChI=1S/C25H24N4O4/c1-29(15-23(30)28-22-10-12-26-16-27-22)13-11-17(14-29)33-24(31)25(32)20-8-4-2-6-18(20)19-7-3-5-9-21(19)25/h2-10,12,16-17,32H,11,13-15H2,1H3/p+1/t17-,29?/m1/s1