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

Systemtic Name: [(2R)-1-(4-methylmorpholin-4-ium-4-yl)-3-phenylmethoxy-propan-2-yl] heptanoate Openeye Name: [(1R)-1-(benzyloxymethyl)-2-(4-methylmorpholin-4-ium-4-yl)ethyl] heptanoate CAS Name: heptanoic 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] heptanoate Traditional Name: enanthic acid [(1R)-1-(benzoxymethyl)-2-(4-methylmorpholin-4-ium-4-yl)ethyl] ester Formula: C22H36NO4+ MolecularWeight: 378.52554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36NO4/c1-3-4-5-9-12-22(24)27-21(17-23(2)13-15-25-16-14-23)19-26-18-20-10-7-6-8-11-20/h6-8,10-11,21H,3-5,9,12-19H2,1-2H3/q+1/t21-/m1/s1