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

Systemtic Name: (2S)-3-[3-methoxy-2-(2-morpholin-4-ium-4-ylethoxy)phenyl]-2-phenyl-propanoate Openeye Name: (2S)-3-[3-methoxy-2-(2-morpholin-4-ium-4-ylethoxy)phenyl]-2-phenyl-propanoate CAS Name: (2S)-3-[3-methoxy-2-[2-(4-morpholin-4-iumyl)ethoxy]phenyl]-2-phenylpropanoate IUPAC Name: (2S)-3-[3-methoxy-2-(2-morpholin-4-ium-4-ylethoxy)phenyl]-2-phenylpropanoate Traditional Name: (2S)-3-[3-methoxy-2-(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=CC=CC(=C1OCC[NH+]2CCOCC2)CC(C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1OCC[NH+]2CCOCC2)C[C@@H](C3=CC=CC=C3)C(=O)[O-]

InChI

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