[(2R)-1-morpholin-4-ium-4-yl-3-phenylmethoxy-propan-2-yl] butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC(C[NH+]1CCOCC1)COCC2=CC=CC=C2

Isomeric SMILES

CCCC(=O)O[C@H](C[NH+]1CCOCC1)COCC2=CC=CC=C2

InChI

InChI=1S/C18H27NO4/c1-2-6-18(20)23-17(13-19-9-11-21-12-10-19)15-22-14-16-7-4-3-5-8-16/h3-5,7-8,17H,2,6,9-15H2,1H3/p+1/t17-/m1/s1