(phenylmethyl) 2-(hydroxymethyl)-1-oxidanyl-pyrrolidin-1-ium-1-carboxylate

Systemtic Name: (phenylmethyl) 2-(hydroxymethyl)-1-oxidanyl-pyrrolidin-1-ium-1-carboxylate Openeye Name: benzyl 1-hydroxy-2-(hydroxymethyl)pyrrolidin-1-ium-1-carboxylate CAS Name: 1-hydroxy-2-(hydroxymethyl)-1-pyrrolidin-1-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-hydroxy-2-(hydroxymethyl)pyrrolidin-1-ium-1-carboxylate Traditional Name: 1-hydroxy-2-methylol-pyrrolidin-1-ium-1-carboxylic acid benzyl ester Formula: C13H18NO4+ MolecularWeight: 252.28632

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([N+](C1)(C(=O)OCC2=CC=CC=C2)O)CO

Isomeric SMILES

C1CC([N+](C1)(C(=O)OCC2=CC=CC=C2)O)CO

InChI

InChI=1S/C13H18NO4/c15-9-12-7-4-8-14(12,17)13(16)18-10-11-5-2-1-3-6-11/h1-3,5-6,12,15,17H,4,7-10H2/q+1