ethyl 3-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]benzoate

Systemtic Name: ethyl 3-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]benzoate Openeye Name: ethyl 3-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]benzoate CAS Name: 3-[(2S)-2-hydroxy-3-(4-morpholin-4-iumyl)propoxy]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]benzoate Traditional Name: 3-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]benzoic acid ethyl ester Formula: C16H24NO5+ MolecularWeight: 310.36546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)OCC(C[NH+]2CCOCC2)O

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)OC[C@H](C[NH+]2CCOCC2)O

InChI

InChI=1S/C16H23NO5/c1-2-21-16(19)13-4-3-5-15(10-13)22-12-14(18)11-17-6-8-20-9-7-17/h3-5,10,14,18H,2,6-9,11-12H2,1H3/p+1/t14-/m0/s1