ethyl 2-cyano-3-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methylimino]propanoate

Systemtic Name: ethyl 2-cyano-3-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methylimino]propanoate Openeye Name: ethyl 2-cyano-3-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methylimino]propanoate CAS Name: 2-cyano-3-[[(2R)-1-ethyl-2-pyrrolidin-1-iumyl]methylimino]propanoic acid ethyl ester IUPAC Name: ethyl 2-cyano-3-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methylimino]propanoate Traditional Name: 2-cyano-3-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methylimino]propionic acid ethyl ester Formula: C13H22N3O2+ MolecularWeight: 252.33268

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CN=CC(C#N)C(=O)OCC

Isomeric SMILES

CC[NH+]1CCC[C@@H]1CN=CC(C#N)C(=O)OCC

InChI

InChI=1S/C13H21N3O2/c1-3-16-7-5-6-12(16)10-15-9-11(8-14)13(17)18-4-2/h9,11-12H,3-7,10H2,1-2H3/p+1/t11?,12-/m1/s1