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

Systemtic Name: 2-[(3R,4S)-3-(2-morpholin-4-ium-4-ylethyl)-1-(propan-2-ylcarbamoyl)piperidin-4-yl]ethanoate Openeye Name: 2-[(3R,4S)-1-(isopropylcarbamoyl)-3-(2-morpholin-4-ium-4-ylethyl)-4-piperidyl]acetate CAS Name: 2-[(3R,4S)-3-[2-(4-morpholin-4-iumyl)ethyl]-1-[oxo-(propan-2-ylamino)methyl]-4-piperidinyl]acetate IUPAC Name: 2-[(3R,4S)-3-(2-morpholin-4-ium-4-ylethyl)-1-(propan-2-ylcarbamoyl)piperidin-4-yl]acetate Traditional Name: 2-[(3R,4S)-1-(isopropylcarbamoyl)-3-(2-morpholin-4-ium-4-ylethyl)-4-piperidyl]acetate Formula: C17H31N3O4 MolecularWeight: 341.44574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)N1CCC(C(C1)CC[NH+]2CCOCC2)CC(=O)[O-]

Isomeric SMILES

CC(C)NC(=O)N1CC[C@H]([C@H](C1)CC[NH+]2CCOCC2)CC(=O)[O-]

InChI

InChI=1S/C17H31N3O4/c1-13(2)18-17(23)20-6-4-14(11-16(21)22)15(12-20)3-5-19-7-9-24-10-8-19/h13-15H,3-12H2,1-2H3,(H,18,23)(H,21,22)/t14-,15-/m0/s1