(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrrolidin-1-ium-1-yl-ethanoate

Systemtic Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrrolidin-1-ium-1-yl-ethanoate Openeye Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrrolidin-1-ium-1-yl-acetate CAS Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-pyrrolidin-1-iumyl)acetate IUPAC Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrrolidin-1-ium-1-ylacetate Traditional Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrrolidin-1-ium-1-yl-acetate Formula: C14H17NO4 MolecularWeight: 263.28908

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(C2=CC3=C(C=C2)OCCO3)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)[C@H](C2=CC3=C(C=C2)OCCO3)C(=O)[O-]

InChI

InChI=1S/C14H17NO4/c16-14(17)13(15-5-1-2-6-15)10-3-4-11-12(9-10)19-8-7-18-11/h3-4,9,13H,1-2,5-8H2,(H,16,17)/t13-/m1/s1