(phenylmethyl) (2S,4R)-4-phenylmethoxy-2-(pyrrolidin-1-ium-1-ylmethyl)pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S,4R)-4-phenylmethoxy-2-(pyrrolidin-1-ium-1-ylmethyl)pyrrolidine-1-carboxylate Openeye Name: benzyl (2S,4R)-4-benzyloxy-2-(pyrrolidin-1-ium-1-ylmethyl)pyrrolidine-1-carboxylate CAS Name: (2S,4R)-4-phenylmethoxy-2-(1-pyrrolidin-1-iumylmethyl)-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,4R)-4-phenylmethoxy-2-(pyrrolidin-1-ium-1-ylmethyl)pyrrolidine-1-carboxylate Traditional Name: (2S,4R)-4-benzoxy-2-(pyrrolidin-1-ium-1-ylmethyl)pyrrolidine-1-carboxylic acid benzyl ester Formula: C24H31N2O3+ MolecularWeight: 395.51454

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2CC(CN2C(=O)OCC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)C[C@@H]2C[C@H](CN2C(=O)OCC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H30N2O3/c27-24(29-19-21-11-5-2-6-12-21)26-17-23(28-18-20-9-3-1-4-10-20)15-22(26)16-25-13-7-8-14-25/h1-6,9-12,22-23H,7-8,13-19H2/p+1/t22-,23+/m0/s1