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

Systemtic Name: [(3R)-1-methyl-1-[2-oxidanylidene-2-(pyrimidin-4-ylamino)ethyl]pyrrolidin-1-ium-3-yl] 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(3R)-1-methyl-1-[2-oxo-2-(pyrimidin-4-ylamino)ethyl]pyrrolidin-1-ium-3-yl] 2-cyclopentyl-2-hydroxy-2-phenyl-acetate CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic 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-cyclopentyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid [(3R)-1-[2-keto-2-(4-pyrimidylamino)ethyl]-1-methyl-pyrrolidin-1-ium-3-yl] ester Formula: C24H31N4O4+ MolecularWeight: 439.52734

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)CC(=O)NC4=NC=NC=C4

Isomeric SMILES

C[N+]1(CC[C@H](C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)CC(=O)NC4=NC=NC=C4

InChI

InChI=1S/C24H30N4O4/c1-28(16-22(29)27-21-11-13-25-17-26-21)14-12-20(15-28)32-23(30)24(31,19-9-5-6-10-19)18-7-3-2-4-8-18/h2-4,7-8,11,13,17,19-20,31H,5-6,9-10,12,14-16H2,1H3/p+1/t20-,24?,28?/m1/s1