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

Systemtic Name: [1-(4-methylmorpholin-4-ium-4-yl)-3-phenylmethoxy-propan-2-yl] benzoate Openeye Name: [1-(benzyloxymethyl)-2-(4-methylmorpholin-4-ium-4-yl)ethyl] benzoate CAS Name: benzoic acid [1-(4-methyl-4-morpholin-4-iumyl)-3-phenylmethoxypropan-2-yl] ester IUPAC Name: [1-(4-methylmorpholin-4-ium-4-yl)-3-phenylmethoxypropan-2-yl] benzoate Traditional Name: benzoic acid [1-(benzoxymethyl)-2-(4-methylmorpholin-4-ium-4-yl)ethyl] ester Formula: C22H28NO4+ MolecularWeight: 370.46202

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCOCC1)CC(COCC2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C[N+]1(CCOCC1)CC(COCC2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H28NO4/c1-23(12-14-25-15-13-23)16-21(18-26-17-19-8-4-2-5-9-19)27-22(24)20-10-6-3-7-11-20/h2-11,21H,12-18H2,1H3/q+1