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

Systemtic Name: 2-[(3R,4S)-3-(2-morpholin-4-ium-4-ylethyl)-1-morpholin-4-ylcarbonyl-piperidin-4-yl]ethanoate Openeye Name: 2-[(3R,4S)-1-(morpholine-4-carbonyl)-3-(2-morpholin-4-ium-4-ylethyl)-4-piperidyl]acetate CAS Name: 2-[(3R,4S)-3-[2-(4-morpholin-4-iumyl)ethyl]-1-[4-morpholinyl(oxo)methyl]-4-piperidinyl]acetate IUPAC Name: 2-[(3R,4S)-1-(morpholine-4-carbonyl)-3-(2-morpholin-4-ium-4-ylethyl)piperidin-4-yl]acetate Traditional Name: 2-[(3R,4S)-1-(morpholine-4-carbonyl)-3-(2-morpholin-4-ium-4-ylethyl)-4-piperidyl]acetate Formula: C18H31N3O5 MolecularWeight: 369.45584

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1CC(=O)[O-])CC[NH+]2CCOCC2)C(=O)N3CCOCC3

Isomeric SMILES

C1CN(C[C@@H]([C@@H]1CC(=O)[O-])CC[NH+]2CCOCC2)C(=O)N3CCOCC3

InChI

InChI=1S/C18H31N3O5/c22-17(23)13-15-2-4-21(18(24)20-7-11-26-12-8-20)14-16(15)1-3-19-5-9-25-10-6-19/h15-16H,1-14H2,(H,22,23)/t15-,16-/m0/s1