diethyl (3S,4R)-1-(phenylmethyl)pyrrolidin-1-ium-3,4-dicarboxylate

Systemtic Name: diethyl (3S,4R)-1-(phenylmethyl)pyrrolidin-1-ium-3,4-dicarboxylate Openeye Name: diethyl (3S,4R)-1-benzylpyrrolidin-1-ium-3,4-dicarboxylate CAS Name: (3S,4R)-1-(phenylmethyl)pyrrolidin-1-ium-3,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl (3S,4R)-1-benzylpyrrolidin-1-ium-3,4-dicarboxylate Traditional Name: (3S,4R)-1-benzylpyrrolidin-1-ium-3,4-dicarboxylic acid diethyl ester Formula: C17H24NO4+ MolecularWeight: 306.37676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C[NH+](CC1C(=O)OCC)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@@H]1C[NH+](C[C@@H]1C(=O)OCC)CC2=CC=CC=C2

InChI

InChI=1S/C17H23NO4/c1-3-21-16(19)14-11-18(10-13-8-6-5-7-9-13)12-15(14)17(20)22-4-2/h5-9,14-15H,3-4,10-12H2,1-2H3/p+1/t14-,15+