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

Systemtic Name: (2S)-2-(4-methoxyphenyl)-3-[4-(2-morpholin-4-ium-4-ylethoxy)phenyl]propanoate Openeye Name: (2S)-2-(4-methoxyphenyl)-3-[4-(2-morpholin-4-ium-4-ylethoxy)phenyl]propanoate CAS Name: (2S)-2-(4-methoxyphenyl)-3-[4-[2-(4-morpholin-4-iumyl)ethoxy]phenyl]propanoate IUPAC Name: (2S)-2-(4-methoxyphenyl)-3-[4-(2-morpholin-4-ium-4-ylethoxy)phenyl]propanoate Traditional Name: (2S)-2-(4-methoxyphenyl)-3-[4-(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=C(C=C2)OCC[NH+]3CCOCC3)C(=O)[O-]

Isomeric SMILES

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

InChI

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