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

Systemtic Name: methyl 1-[2-[[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H26N3O5+ MolecularWeight: 352.40544

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NCC1=CC=CO1)C(=O)C[NH+]2CCC(CC2)C(=O)OC

Isomeric SMILES

CN(CC(=O)NCC1=CC=CO1)C(=O)C[NH+]2CCC(CC2)C(=O)OC

InChI

InChI=1S/C17H25N3O5/c1-19(11-15(21)18-10-14-4-3-9-25-14)16(22)12-20-7-5-13(6-8-20)17(23)24-2/h3-4,9,13H,5-8,10-12H2,1-2H3,(H,18,21)/p+1