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

Systemtic Name: 2-[(3R,4S)-3-(2-morpholin-4-ium-4-ylethyl)-1-(2-phenylethanoyl)piperidin-4-yl]ethanoate Openeye Name: 2-[(3R,4S)-3-(2-morpholin-4-ium-4-ylethyl)-1-(2-phenylacetyl)-4-piperidyl]acetate CAS Name: 2-[(3R,4S)-3-[2-(4-morpholin-4-iumyl)ethyl]-1-(1-oxo-2-phenylethyl)-4-piperidinyl]acetate IUPAC Name: 2-[(3R,4S)-3-(2-morpholin-4-ium-4-ylethyl)-1-(2-phenylacetyl)piperidin-4-yl]acetate Traditional Name: 2-[(3R,4S)-3-(2-morpholin-4-ium-4-ylethyl)-1-(2-phenylacetyl)-4-piperidyl]acetate Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1CC(=O)[O-])CC[NH+]2CCOCC2)C(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(C[C@@H]([C@@H]1CC(=O)[O-])CC[NH+]2CCOCC2)C(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H30N2O4/c24-20(14-17-4-2-1-3-5-17)23-9-7-18(15-21(25)26)19(16-23)6-8-22-10-12-27-13-11-22/h1-5,18-19H,6-16H2,(H,25,26)/t18-,19-/m0/s1