(3R)-1-[2-[3-methoxy-2-(2-morpholin-4-ium-4-ylethoxy)phenyl]ethyl]-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (3R)-1-[2-[3-methoxy-2-(2-morpholin-4-ium-4-ylethoxy)phenyl]ethyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3R)-1-[2-[3-methoxy-2-(2-morpholin-4-ium-4-ylethoxy)phenyl]ethyl]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3R)-1-[2-[3-methoxy-2-[2-(4-morpholin-4-iumyl)ethoxy]phenyl]ethyl]-5-oxo-3-pyrrolidinecarboxylate IUPAC Name: (3R)-1-[2-[3-methoxy-2-(2-morpholin-4-ium-4-ylethoxy)phenyl]ethyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3R)-5-keto-1-[2-[3-methoxy-2-(2-morpholin-4-ium-4-ylethoxy)phenyl]ethyl]pyrrolidine-3-carboxylate Formula: C20H28N2O6 MolecularWeight: 392.44612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC[NH+]2CCOCC2)CCN3CC(CC3=O)C(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1OCC[NH+]2CCOCC2)CCN3C[C@@H](CC3=O)C(=O)[O-]

InChI

InChI=1S/C20H28N2O6/c1-26-17-4-2-3-15(5-6-22-14-16(20(24)25)13-18(22)23)19(17)28-12-9-21-7-10-27-11-8-21/h2-4,16H,5-14H2,1H3,(H,24,25)/t16-/m1/s1