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

Systemtic Name: [(2R)-1-(4-methylmorpholin-4-ium-4-yl)-3-phenylmethoxy-propan-2-yl] pentanoate Openeye Name: [(1R)-1-(benzyloxymethyl)-2-(4-methylmorpholin-4-ium-4-yl)ethyl] pentanoate CAS Name: pentanoic 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] pentanoate Traditional Name: valeric acid [(1R)-1-(benzoxymethyl)-2-(4-methylmorpholin-4-ium-4-yl)ethyl] ester Formula: C20H32NO4+ MolecularWeight: 350.47238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32NO4/c1-3-4-10-20(22)25-19(15-21(2)11-13-23-14-12-21)17-24-16-18-8-6-5-7-9-18/h5-9,19H,3-4,10-17H2,1-2H3/q+1/t19-/m1/s1