(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethanoate

Systemtic Name: (2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethanoate Openeye Name: (2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-acetate CAS Name: (2R)-2-(1,3-benzodioxol-5-yl)-2-(4-morpholin-4-iumyl)acetate IUPAC Name: (2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-ylacetate Traditional Name: (2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-acetate Formula: C13H15NO5 MolecularWeight: 265.2619

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(C2=CC3=C(C=C2)OCO3)C(=O)[O-]

Isomeric SMILES

C1COCC[NH+]1[C@H](C2=CC3=C(C=C2)OCO3)C(=O)[O-]

InChI

InChI=1S/C13H15NO5/c15-13(16)12(14-3-5-17-6-4-14)9-1-2-10-11(7-9)19-8-18-10/h1-2,7,12H,3-6,8H2,(H,15,16)/t12-/m1/s1