ethyl 1-[2-[[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-[[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-[[2-(2-furylmethylamino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[[2-(2-furanylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[[2-(2-furfurylamino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H28N3O5+ MolecularWeight: 366.43202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O5/c1-3-25-18(24)14-6-8-21(9-7-14)13-17(23)20(2)12-16(22)19-11-15-5-4-10-26-15/h4-5,10,14H,3,6-9,11-13H2,1-2H3,(H,19,22)/p+1