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

Systemtic Name: dimethyl (3S,4S)-1-(phenylmethyl)pyrrolidin-1-ium-3,4-dicarboxylate Openeye Name: dimethyl (3S,4S)-1-benzylpyrrolidin-1-ium-3,4-dicarboxylate CAS Name: (3S,4S)-1-(phenylmethyl)pyrrolidin-1-ium-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (3S,4S)-1-benzylpyrrolidin-1-ium-3,4-dicarboxylate Traditional Name: (3S,4S)-1-benzylpyrrolidin-1-ium-3,4-dicarboxylic acid dimethyl ester Formula: C15H20NO4+ MolecularWeight: 278.3236

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C[NH+](CC1C(=O)OC)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@@H]1C[NH+](C[C@H]1C(=O)OC)CC2=CC=CC=C2

InChI

InChI=1S/C15H19NO4/c1-19-14(17)12-9-16(10-13(12)15(18)20-2)8-11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3/p+1/t12-,13-/m1/s1