(2S)-2-(4-methoxyphenyl)-3-[3-(2-morpholin-4-ium-4-ylethoxy)phenyl]propanoate

Systemtic Name: (2S)-2-(4-methoxyphenyl)-3-[3-(2-morpholin-4-ium-4-ylethoxy)phenyl]propanoate Openeye Name: (2S)-2-(4-methoxyphenyl)-3-[3-(2-morpholin-4-ium-4-ylethoxy)phenyl]propanoate CAS Name: (2S)-2-(4-methoxyphenyl)-3-[3-[2-(4-morpholin-4-iumyl)ethoxy]phenyl]propanoate IUPAC Name: (2S)-2-(4-methoxyphenyl)-3-[3-(2-morpholin-4-ium-4-ylethoxy)phenyl]propanoate Traditional Name: (2S)-2-(4-methoxyphenyl)-3-[3-(2-morpholin-4-ium-4-ylethoxy)phenyl]propionate Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC2=CC(=CC=C2)OCC[NH+]3CCOCC3)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CC2=CC(=CC=C2)OCC[NH+]3CCOCC3)C(=O)[O-]

InChI

InChI=1S/C22H27NO5/c1-26-19-7-5-18(6-8-19)21(22(24)25)16-17-3-2-4-20(15-17)28-14-11-23-9-12-27-13-10-23/h2-8,15,21H,9-14,16H2,1H3,(H,24,25)/t21-/m0/s1