2-[(3R,4S)-1-(furan-2-ylcarbonyl)-3-(2-morpholin-4-ium-4-ylethyl)piperidin-4-yl]ethanoate

Systemtic Name: 2-[(3R,4S)-1-(furan-2-ylcarbonyl)-3-(2-morpholin-4-ium-4-ylethyl)piperidin-4-yl]ethanoate Openeye Name: 2-[(3R,4S)-1-(furan-2-carbonyl)-3-(2-morpholin-4-ium-4-ylethyl)-4-piperidyl]acetate CAS Name: 2-[(3R,4S)-1-[2-furanyl(oxo)methyl]-3-[2-(4-morpholin-4-iumyl)ethyl]-4-piperidinyl]acetate IUPAC Name: 2-[(3R,4S)-1-(furan-2-carbonyl)-3-(2-morpholin-4-ium-4-ylethyl)piperidin-4-yl]acetate Traditional Name: 2-[(3R,4S)-1-(2-furoyl)-3-(2-morpholin-4-ium-4-ylethyl)-4-piperidyl]acetate Formula: C18H26N2O5 MolecularWeight: 350.40944

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1CC(=O)[O-])CC[NH+]2CCOCC2)C(=O)C3=CC=CO3

Isomeric SMILES

C1CN(C[C@@H]([C@@H]1CC(=O)[O-])CC[NH+]2CCOCC2)C(=O)C3=CC=CO3

InChI

InChI=1S/C18H26N2O5/c21-17(22)12-14-4-6-20(18(23)16-2-1-9-25-16)13-15(14)3-5-19-7-10-24-11-8-19/h1-2,9,14-15H,3-8,10-13H2,(H,21,22)/t14-,15-/m0/s1