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

Systemtic Name: ethyl 4-[[(2R,4S)-4-oxidanylpyrrolidin-1-ium-2-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[(2R,4S)-4-hydroxypyrrolidin-1-ium-2-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[(2R,4S)-4-hydroxy-2-pyrrolidin-1-iumyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(2R,4S)-4-hydroxypyrrolidin-1-ium-2-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[(2R,4S)-4-hydroxypyrrolidin-1-ium-2-carbonyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C13H24N3O4+ MolecularWeight: 286.34736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2CC(C[NH2+]2)O

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)[C@H]2C[C@@H](C[NH2+]2)O

InChI

InChI=1S/C13H23N3O4/c1-2-20-13(19)16-5-3-9(4-6-16)15-12(18)11-7-10(17)8-14-11/h9-11,14,17H,2-8H2,1H3,(H,15,18)/p+1/t10-,11+/m0/s1