(1-morpholin-4-ium-4-yl-3-phenylmethoxy-propan-2-yl) 3-phenylpropanoate chloride

Systemtic Name: (1-morpholin-4-ium-4-yl-3-phenylmethoxy-propan-2-yl) 3-phenylpropanoate chloride Openeye Name: [1-(benzyloxymethyl)-2-morpholin-4-ium-4-yl-ethyl] 3-phenylpropanoate chloride CAS Name: 3-phenylpropanoic acid [1-(4-morpholin-4-iumyl)-3-phenylmethoxypropan-2-yl] ester chloride IUPAC Name: (1-morpholin-4-ium-4-yl-3-phenylmethoxypropan-2-yl) 3-phenylpropanoate chloride Traditional Name: 3-phenylpropionic acid [1-(benzoxymethyl)-2-morpholin-4-ium-4-yl-ethyl] ester chloride Formula: C23H30ClNO4 MolecularWeight: 419.9416

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(COCC2=CC=CC=C2)OC(=O)CCC3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1COCC[NH+]1CC(COCC2=CC=CC=C2)OC(=O)CCC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C23H29NO4.ClH/c25-23(12-11-20-7-3-1-4-8-20)28-22(17-24-13-15-26-16-14-24)19-27-18-21-9-5-2-6-10-21;/h1-10,22H,11-19H2;1H