O4-tert-butyl O2-ethyl (2R,4S,5R)-5-(furan-2-yl)pyrrolidin-1-ium-2,4-dicarboxylate

Systemtic Name: O4-tert-butyl O2-ethyl (2R,4S,5R)-5-(furan-2-yl)pyrrolidin-1-ium-2,4-dicarboxylate Openeye Name: O4-tert-butyl O2-ethyl (2R,4S,5R)-5-(2-furyl)pyrrolidin-1-ium-2,4-dicarboxylate CAS Name: (2R,4S,5R)-5-(2-furanyl)pyrrolidin-1-ium-2,4-dicarboxylic acid O4-tert-butyl ester O2-ethyl ester IUPAC Name: 4-O-tert-butyl 2-O-ethyl (2R,4S,5R)-5-(furan-2-yl)pyrrolidin-1-ium-2,4-dicarboxylate Traditional Name: (2R,4S,5R)-5-(2-furyl)pyrrolidin-1-ium-2,4-dicarboxylic acid O4-tert-butyl ester O2-ethyl ester Formula: C16H24NO5+ MolecularWeight: 310.36546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(C([NH2+]1)C2=CC=CO2)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)[C@H]1C[C@@H]([C@@H]([NH2+]1)C2=CC=CO2)C(=O)OC(C)(C)C

InChI

InChI=1S/C16H23NO5/c1-5-20-15(19)11-9-10(14(18)22-16(2,3)4)13(17-11)12-7-6-8-21-12/h6-8,10-11,13,17H,5,9H2,1-4H3/p+1/t10-,11+,13+/m0/s1