ethyl 1-[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-(2-furylmethylcarbamoylamino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(2-furfurylcarbamoylamino)-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C16H24N3O5+ MolecularWeight: 338.37886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC(=O)NCC2=CC=CO2

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC(=O)NCC2=CC=CO2

InChI

InChI=1S/C16H23N3O5/c1-2-23-15(21)12-5-7-19(8-6-12)11-14(20)18-16(22)17-10-13-4-3-9-24-13/h3-4,9,12H,2,5-8,10-11H2,1H3,(H2,17,18,20,22)/p+1