(phenylmethyl) (2S)-1-ethylpyrrolidin-1-ium-2-carboxylate

Systemtic Name: (phenylmethyl) (2S)-1-ethylpyrrolidin-1-ium-2-carboxylate Openeye Name: benzyl (2S)-1-ethylpyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-1-ethyl-2-pyrrolidin-1-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-ethylpyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-1-ethylpyrrolidin-1-ium-2-carboxylic acid benzyl ester Formula: C14H20NO2+ MolecularWeight: 234.3141

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC[NH+]1CCC[C@H]1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C14H19NO2/c1-2-15-10-6-9-13(15)14(16)17-11-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3/p+1/t13-/m0/s1