ethyl (3R)-1-[2-[(2R)-3-oxidanylidenepiperazin-1-ium-2-yl]ethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3R)-1-[2-[(2R)-3-oxidanylidenepiperazin-1-ium-2-yl]ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl (3R)-1-[2-[(2R)-3-oxopiperazin-1-ium-2-yl]acetyl]piperidine-3-carboxylate CAS Name: (3R)-1-[1-oxo-2-[(2R)-3-oxo-2-piperazin-1-iumyl]ethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[2-[(2R)-3-oxopiperazin-1-ium-2-yl]acetyl]piperidine-3-carboxylate Traditional Name: (3R)-1-[2-[(2R)-3-ketopiperazin-1-ium-2-yl]acetyl]nipecotic acid ethyl ester Formula: C14H24N3O4+ MolecularWeight: 298.35806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CC2C(=O)NCC[NH2+]2

Isomeric SMILES

CCOC(=O)[C@@H]1CCCN(C1)C(=O)C[C@@H]2C(=O)NCC[NH2+]2

InChI

InChI=1S/C14H23N3O4/c1-2-21-14(20)10-4-3-7-17(9-10)12(18)8-11-13(19)16-6-5-15-11/h10-11,15H,2-9H2,1H3,(H,16,19)/p+1/t10-,11-/m1/s1