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

Systemtic Name: methyl 4-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 4-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]benzoate CAS Name: 4-[(2S)-2-hydroxy-3-(4-morpholin-4-iumyl)propoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]benzoate Traditional Name: 4-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]benzoic acid methyl ester Formula: C15H22NO5+ MolecularWeight: 296.33888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO5/c1-19-15(18)12-2-4-14(5-3-12)21-11-13(17)10-16-6-8-20-9-7-16/h2-5,13,17H,6-11H2,1H3/p+1/t13-/m0/s1