triethyl [(2R,5R)-5-(phenylcarbonyl)pyrrolidin-1-ium-2-yl]methanetricarboxylate

Systemtic Name: triethyl [(2R,5R)-5-(phenylcarbonyl)pyrrolidin-1-ium-2-yl]methanetricarboxylate Openeye Name: triethyl [(2R,5R)-5-benzoylpyrrolidin-1-ium-2-yl]methanetricarboxylate CAS Name: [(2R,5R)-5-benzoyl-2-pyrrolidin-1-iumyl]methanetricarboxylic acid triethyl ester IUPAC Name: triethyl [(2R,5R)-5-benzoylpyrrolidin-1-ium-2-yl]methanetricarboxylate Traditional Name: [(2R,5R)-5-benzoylpyrrolidin-1-ium-2-yl]methanetricarboxylic acid triethyl ester Formula: C21H28NO7+ MolecularWeight: 406.44952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1CCC([NH2+]1)C(=O)C2=CC=CC=C2)(C(=O)OCC)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO7/c1-4-27-18(24)21(19(25)28-5-2,20(26)29-6-3)16-13-12-15(22-16)17(23)14-10-8-7-9-11-14/h7-11,15-16,22H,4-6,12-13H2,1-3H3/p+1/t15-,16-/m1/s1