dimethyl (2R,3S,4S,5S)-3,5-diphenylpyrrolidin-1-ium-2,4-dicarboxylate

Systemtic Name: dimethyl (2R,3S,4S,5S)-3,5-diphenylpyrrolidin-1-ium-2,4-dicarboxylate Openeye Name: dimethyl (2R,3S,4S,5S)-3,5-diphenylpyrrolidin-1-ium-2,4-dicarboxylate CAS Name: (2R,3S,4S,5S)-3,5-diphenylpyrrolidin-1-ium-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (2R,3S,4S,5S)-3,5-diphenylpyrrolidin-1-ium-2,4-dicarboxylate Traditional Name: (2R,3S,4S,5S)-3,5-diphenylpyrrolidin-1-ium-2,4-dicarboxylic acid dimethyl ester Formula: C20H22NO4+ MolecularWeight: 340.39298

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C([NH2+]C1C2=CC=CC=C2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H]1[C@H]([C@@H]([NH2+][C@@H]1C2=CC=CC=C2)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C20H21NO4/c1-24-19(22)16-15(13-9-5-3-6-10-13)18(20(23)25-2)21-17(16)14-11-7-4-8-12-14/h3-12,15-18,21H,1-2H3/p+1/t15-,16+,17-,18-/m1/s1