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

Systemtic Name: ethyl (3S)-1-[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(2-furylmethylcarbamoylamino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(2-furfurylcarbamoylamino)-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C16H24N3O5+ MolecularWeight: 338.37886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NC(=O)NCC2=CC=CO2

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NC(=O)NCC2=CC=CO2

InChI

InChI=1S/C16H23N3O5/c1-2-23-15(21)12-5-3-7-19(10-12)11-14(20)18-16(22)17-9-13-6-4-8-24-13/h4,6,8,12H,2-3,5,7,9-11H2,1H3,(H2,17,18,20,22)/p+1/t12-/m0/s1