3-[(3R,4R)-3-(2-ethoxy-2-oxidanylidene-ethyl)-4,5-dimethyl-1-oxidanidyl-2,3-dihydropyrrol-1-ium-4-yl]propanoic acid

Systemtic Name: 3-[(3R,4R)-3-(2-ethoxy-2-oxidanylidene-ethyl)-4,5-dimethyl-1-oxidanidyl-2,3-dihydropyrrol-1-ium-4-yl]propanoic acid Openeye Name: 3-[(3R,4R)-3-(2-ethoxy-2-oxo-ethyl)-4,5-dimethyl-1-oxido-2,3-dihydropyrrol-1-ium-4-yl]propanoic acid CAS Name: 3-[(3R,4R)-3-(2-ethoxy-2-oxoethyl)-4,5-dimethyl-1-oxido-2,3-dihydropyrrol-1-ium-4-yl]propanoic acid IUPAC Name: 3-[(3R,4R)-3-(2-ethoxy-2-oxoethyl)-4,5-dimethyl-1-oxido-2,3-dihydropyrrol-1-ium-4-yl]propanoic acid Traditional Name: 3-[(3R,4R)-4-(2-ethoxy-2-keto-ethyl)-2,3-dimethyl-1-oxido-1-pyrrolin-1-ium-3-yl]propionic acid Formula: C13H21NO5 MolecularWeight: 271.30954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C[N+](=C(C1(C)CCC(=O)O)C)[O-]

Isomeric SMILES

CCOC(=O)C[C@H]1C[N+](=C([C@]1(C)CCC(=O)O)C)[O-]

InChI

InChI=1S/C13H21NO5/c1-4-19-12(17)7-10-8-14(18)9(2)13(10,3)6-5-11(15)16/h10H,4-8H2,1-3H3,(H,15,16)/t10-,13-/m0/s1