ethyl (3S)-1-[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(isopropylcarbamoylamino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(isopropylcarbamoylamino)-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C14H26N3O4+ MolecularWeight: 300.37394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NC(=O)NC(C)C

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NC(=O)NC(C)C

InChI

InChI=1S/C14H25N3O4/c1-4-21-13(19)11-6-5-7-17(8-11)9-12(18)16-14(20)15-10(2)3/h10-11H,4-9H2,1-3H3,(H2,15,16,18,20)/p+1/t11-/m0/s1