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

Systemtic Name: (2S)-1-phenethylpyrrolidin-1-ium-2-carboxylate Openeye Name: (2S)-1-phenethylpyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-1-phenethyl-2-pyrrolidin-1-iumcarboxylate IUPAC Name: (2S)-1-phenethylpyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-1-phenethylpyrrolidin-1-ium-2-carboxylate Formula: C13H17NO2 MolecularWeight: 219.27958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO2/c15-13(16)12-7-4-9-14(12)10-8-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,15,16)/t12-/m0/s1