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

Systemtic Name: ethyl (3S)-1-[2-(methoxycarbonylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(methoxycarbonylamino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(methoxycarbonylamino)-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(methoxycarbonylamino)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(carbomethoxyamino)-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C12H21N2O5+ MolecularWeight: 273.30554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N2O5/c1-3-19-11(16)9-5-4-6-14(7-9)8-10(15)13-12(17)18-2/h9H,3-8H2,1-2H3,(H,13,15,17)/p+1/t9-/m0/s1