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

Systemtic Name: (phenylmethyl) (2S)-1-phenethylpyrrolidin-1-ium-2-carboxylate Openeye Name: benzyl (2S)-1-phenethylpyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-1-phenethyl-2-pyrrolidin-1-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-phenethylpyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-1-phenethylpyrrolidin-1-ium-2-carboxylic acid benzyl ester Formula: C20H24NO2+ MolecularWeight: 310.41006

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1C[C@H]([NH+](C1)CCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H23NO2/c22-20(23-16-18-10-5-2-6-11-18)19-12-7-14-21(19)15-13-17-8-3-1-4-9-17/h1-6,8-11,19H,7,12-16H2/p+1/t19-/m0/s1