[(2R)-1-(4-methylmorpholin-4-ium-4-yl)-3-phenylmethoxy-propan-2-yl] propanoate

Systemtic Name: [(2R)-1-(4-methylmorpholin-4-ium-4-yl)-3-phenylmethoxy-propan-2-yl] propanoate Openeye Name: [(1R)-1-(benzyloxymethyl)-2-(4-methylmorpholin-4-ium-4-yl)ethyl] propanoate CAS Name: propanoic acid [(2R)-1-(4-methyl-4-morpholin-4-iumyl)-3-phenylmethoxypropan-2-yl] ester IUPAC Name: [(2R)-1-(4-methylmorpholin-4-ium-4-yl)-3-phenylmethoxypropan-2-yl] propanoate Traditional Name: propionic acid [(1R)-1-(benzoxymethyl)-2-(4-methylmorpholin-4-ium-4-yl)ethyl] ester Formula: C18H28NO4+ MolecularWeight: 322.41922

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(C[N+]1(CCOCC1)C)COCC2=CC=CC=C2

Isomeric SMILES

CCC(=O)O[C@H](C[N+]1(CCOCC1)C)COCC2=CC=CC=C2

InChI

InChI=1S/C18H28NO4/c1-3-18(20)23-17(13-19(2)9-11-21-12-10-19)15-22-14-16-7-5-4-6-8-16/h4-8,17H,3,9-15H2,1-2H3/q+1/t17-/m1/s1