(2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethanoate

Systemtic Name: (2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethanoate Openeye Name: (2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-acetate CAS Name: (2R)-2-(1,3-benzodioxol-5-yl)-2-(1-pyrrolidin-1-iumyl)acetate IUPAC Name: (2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-ylacetate Traditional Name: (2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-acetate Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(C2=CC3=C(C=C2)OCO3)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)[C@H](C2=CC3=C(C=C2)OCO3)C(=O)[O-]

InChI

InChI=1S/C13H15NO4/c15-13(16)12(14-5-1-2-6-14)9-3-4-10-11(7-9)18-8-17-10/h3-4,7,12H,1-2,5-6,8H2,(H,15,16)/t12-/m1/s1