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

Systemtic Name: 2-[(3R,4S)-3-(2-morpholin-4-ium-4-ylethyl)-1-(2-phenoxyethanoyl)piperidin-4-yl]ethanoate Openeye Name: 2-[(3R,4S)-3-(2-morpholin-4-ium-4-ylethyl)-1-(2-phenoxyacetyl)-4-piperidyl]acetate CAS Name: 2-[(3R,4S)-3-[2-(4-morpholin-4-iumyl)ethyl]-1-(1-oxo-2-phenoxyethyl)-4-piperidinyl]acetate IUPAC Name: 2-[(3R,4S)-3-(2-morpholin-4-ium-4-ylethyl)-1-(2-phenoxyacetyl)piperidin-4-yl]acetate Traditional Name: 2-[(3R,4S)-3-(2-morpholin-4-ium-4-ylethyl)-1-(2-phenoxyacetyl)-4-piperidyl]acetate Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1CC(=O)[O-])CC[NH+]2CCOCC2)C(=O)COC3=CC=CC=C3

Isomeric SMILES

C1CN(C[C@@H]([C@@H]1CC(=O)[O-])CC[NH+]2CCOCC2)C(=O)COC3=CC=CC=C3

InChI

InChI=1S/C21H30N2O5/c24-20(16-28-19-4-2-1-3-5-19)23-9-7-17(14-21(25)26)18(15-23)6-8-22-10-12-27-13-11-22/h1-5,17-18H,6-16H2,(H,25,26)/t17-,18-/m0/s1