methyl (3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-carboxylate

Systemtic Name: methyl (3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-carboxylate Openeye Name: methyl (3S)-1-benzylpyrrolidin-1-ium-3-carboxylate CAS Name: (3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (3S)-1-benzylpyrrolidin-1-ium-3-carboxylate Traditional Name: (3S)-1-benzylpyrrolidin-1-ium-3-carboxylic acid methyl ester Formula: C13H18NO2+ MolecularWeight: 220.28752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](C1)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H]1CC[NH+](C1)CC2=CC=CC=C2

InChI

InChI=1S/C13H17NO2/c1-16-13(15)12-7-8-14(10-12)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3/p+1/t12-/m0/s1