(2S,5R)-5-(2-ethoxy-2-oxidanylidene-ethyl)pyrrolidin-1-ium-2-carboxylic acid ethanoate

Systemtic Name: (2S,5R)-5-(2-ethoxy-2-oxidanylidene-ethyl)pyrrolidin-1-ium-2-carboxylic acid ethanoate Openeye Name: (2S,5R)-5-(2-ethoxy-2-oxo-ethyl)pyrrolidin-1-ium-2-carboxylic acid acetate CAS Name: (2S,5R)-5-(2-ethoxy-2-oxoethyl)-2-pyrrolidin-1-iumcarboxylic acid acetate IUPAC Name: (2S,5R)-5-(2-ethoxy-2-oxoethyl)pyrrolidin-1-ium-2-carboxylic acid acetate Traditional Name: (2S,5R)-5-(2-ethoxy-2-keto-ethyl)pyrrolidin-1-ium-2-carboxylic acid acetate Formula: C11H19NO6 MolecularWeight: 261.27166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1CCC([NH2+]1)C(=O)O.CC(=O)[O-]

Isomeric SMILES

CCOC(=O)C[C@H]1CC[C@H]([NH2+]1)C(=O)O.CC(=O)[O-]

InChI

InChI=1S/C9H15NO4.C2H4O2/c1-2-14-8(11)5-6-3-4-7(10-6)9(12)13;1-2(3)4/h6-7,10H,2-5H2,1H3,(H,12,13);1H3,(H,3,4)/t6-,7+;/m1./s1