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

Systemtic Name: 1-cyclopentyl-2-[(3R)-1-methyl-1-[2-oxidanylidene-2-(pyrimidin-4-ylamino)ethyl]pyrrolidin-1-ium-3-yl]oxy-2-oxidanylidene-1-phenyl-ethanolate Openeye Name: 1-cyclopentyl-2-[(3R)-1-methyl-1-[2-oxo-2-(pyrimidin-4-ylamino)ethyl]pyrrolidin-1-ium-3-yl]oxy-2-oxo-1-phenyl-ethanolate CAS Name: 1-cyclopentyl-2-[[(3R)-1-methyl-1-[2-oxo-2-(4-pyrimidinylamino)ethyl]-3-pyrrolidin-1-iumyl]oxy]-2-oxo-1-phenylethanolate IUPAC Name: 1-cyclopentyl-2-[(3R)-1-methyl-1-[2-oxo-2-(pyrimidin-4-ylamino)ethyl]pyrrolidin-1-ium-3-yl]oxy-2-oxo-1-phenylethanolate Traditional Name: 1-cyclopentyl-2-keto-2-[(3R)-1-[2-keto-2-(4-pyrimidylamino)ethyl]-1-methyl-pyrrolidin-1-ium-3-yl]oxy-1-phenyl-ethanolate Formula: C24H30N4O4 MolecularWeight: 438.5194

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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/h2-4,7-8,11,13,17,19-20H,5-6,9-10,12,14-16H2,1H3,(H,25,26,27,29)/t20-,24?,28?/m1/s1