ethyl 1-[(2R,4S)-4-oxidanylpyrrolidin-1-ium-2-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2R,4S)-4-oxidanylpyrrolidin-1-ium-2-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[(2R,4S)-4-hydroxypyrrolidin-1-ium-2-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[(2R,4S)-4-hydroxy-2-pyrrolidin-1-iumyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R,4S)-4-hydroxypyrrolidin-1-ium-2-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[(2R,4S)-4-hydroxypyrrolidin-1-ium-2-carbonyl]isonipecotic acid ethyl ester Formula: C13H23N2O4+ MolecularWeight: 271.33272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2CC(C[NH2+]2)O

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)[C@H]2C[C@@H](C[NH2+]2)O

InChI

InChI=1S/C13H22N2O4/c1-2-19-13(18)9-3-5-15(6-4-9)12(17)11-7-10(16)8-14-11/h9-11,14,16H,2-8H2,1H3/p+1/t10-,11+/m0/s1