2-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]ethanoate

Systemtic Name: 2-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]ethanoate Openeye Name: 2-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]acetate CAS Name: 2-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]acetate IUPAC Name: 2-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]acetate Traditional Name: 2-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]acetate Formula: C13H17NO2 MolecularWeight: 219.27958

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1CC(=O)[O-])CC2=CC=CC=C2

Isomeric SMILES

C1C[NH+](C[C@@H]1CC(=O)[O-])CC2=CC=CC=C2

InChI

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