[(2S)-1-morpholin-4-ium-4-ylpropan-2-yl] 2-(2-methylphenoxy)ethanoate

Systemtic Name: [(2S)-1-morpholin-4-ium-4-ylpropan-2-yl] 2-(2-methylphenoxy)ethanoate Openeye Name: [(1S)-1-methyl-2-morpholin-4-ium-4-yl-ethyl] 2-(2-methylphenoxy)acetate CAS Name: 2-(2-methylphenoxy)acetic acid [(2S)-1-(4-morpholin-4-iumyl)propan-2-yl] ester IUPAC Name: [(2S)-1-morpholin-4-ium-4-ylpropan-2-yl] 2-(2-methylphenoxy)acetate Traditional Name: 2-(2-methylphenoxy)acetic acid [(1S)-1-methyl-2-morpholin-4-ium-4-yl-ethyl] ester Formula: C16H24NO4+ MolecularWeight: 294.36606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)OC(C)C[NH+]2CCOCC2

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)O[C@@H](C)C[NH+]2CCOCC2

InChI

InChI=1S/C16H23NO4/c1-13-5-3-4-6-15(13)20-12-16(18)21-14(2)11-17-7-9-19-10-8-17/h3-6,14H,7-12H2,1-2H3/p+1/t14-/m0/s1