(2R)-1-(2-phenoxyethyl)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: (2R)-1-(2-phenoxyethyl)pyrrolidin-1-ium-2-carboxylate Openeye Name: (2R)-1-(2-phenoxyethyl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2R)-1-(2-phenoxyethyl)-2-pyrrolidin-1-iumcarboxylate IUPAC Name: (2R)-1-(2-phenoxyethyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2R)-1-(2-phenoxyethyl)pyrrolidin-1-ium-2-carboxylate Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CCOC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C1C[C@@H]([NH+](C1)CCOC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C13H17NO3/c15-13(16)12-7-4-8-14(12)9-10-17-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,15,16)/t12-/m1/s1