(2S)-2-(4-ethoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethanoate

Systemtic Name: (2S)-2-(4-ethoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethanoate Openeye Name: (2S)-2-(4-ethoxyphenyl)-2-pyrrolidin-1-ium-1-yl-acetate CAS Name: (2S)-2-(4-ethoxyphenyl)-2-(1-pyrrolidin-1-iumyl)acetate IUPAC Name: (2S)-2-(4-ethoxyphenyl)-2-pyrrolidin-1-ium-1-ylacetate Traditional Name: (2S)-2-p-phenetyl-2-pyrrolidin-1-ium-1-yl-acetate Formula: C14H19NO3 MolecularWeight: 249.30556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C(=O)[O-])[NH+]2CCCC2

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@@H](C(=O)[O-])[NH+]2CCCC2

InChI

InChI=1S/C14H19NO3/c1-2-18-12-7-5-11(6-8-12)13(14(16)17)15-9-3-4-10-15/h5-8,13H,2-4,9-10H2,1H3,(H,16,17)/t13-/m0/s1