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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO5/c1-26-20-8-7-17(15-19(22(24)25)18-5-3-2-4-6-18)16-21(20)28-14-11-23-9-12-27-13-10-23/h2-8,16,19H,9-15H2,1H3,(H,24,25)/t19-/m0/s1