methyl (2S,4R)-4-phenylmethoxypyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4R)-4-phenylmethoxypyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4R)-4-benzyloxypyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-4-phenylmethoxy-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-4-phenylmethoxypyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-4-benzoxypyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C13H18NO3+ MolecularWeight: 236.28692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C[NH2+]1)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@@H]1C[C@H](C[NH2+]1)OCC2=CC=CC=C2

InChI

InChI=1S/C13H17NO3/c1-16-13(15)12-7-11(8-14-12)17-9-10-5-3-2-4-6-10/h2-6,11-12,14H,7-9H2,1H3/p+1/t11-,12+/m1/s1