ethyl 1-[(2S)-pyrrolidin-1-ium-2-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2S)-pyrrolidin-1-ium-2-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[(2S)-pyrrolidin-1-ium-2-carbonyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[(2S)-2-pyrrolidin-1-iumyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-pyrrolidin-1-ium-2-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[(2S)-pyrrolidin-1-ium-2-carbonyl]isonipecotic acid ethyl ester Formula: C13H23N2O3+ MolecularWeight: 255.33332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2CCC[NH2+]2

Isomeric SMILES

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

InChI

InChI=1S/C13H22N2O3/c1-2-18-13(17)10-5-8-15(9-6-10)12(16)11-4-3-7-14-11/h10-11,14H,2-9H2,1H3/p+1/t11-/m0/s1